Geometry & MOs

Info

ID:

168512

PubChem CID:

74981339

Reduced:

N4O45C93H164 (1)

Stoich.:

A4B45C93D164 (1)

Weight, g/mol:

558.356991

ΔHf, kcal/mol:

-2185.24

Dipole, Da:

9.04

IP(EA), eV:

 -9.79(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(1-adamantylmethylamino)-2-oxoethyl]-N,N-diethyl-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)OC7(CC(C(C(O7)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)OC8C(C(C(C(O8)C)O)O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations