Geometry & MOs

Info

ID:

184501

PubChem CID:

77169948

Reduced:

N7C24H35 (1)

Stoich.:

A7B24C35 (1)

Weight, g/mol:

527.263151

ΔHf, kcal/mol:

62.73

Dipole, Da:

5.59

IP(EA), eV:

 -8.24(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,18-dimethoxy-11-(4-methoxybutyl)-14-(methylamino)-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(C(=N2)N3CCN(CC3)C)C)NC4C5CCCCC5NN4

DOS

IR

Vibrations