Geometry & MOs

Info

ID:

164934

PubChem CID:

74474538

Reduced:

O2N3C14H20 (2)

Stoich.:

A2B3C14D20 (2)

Weight, g/mol:

520.279804

ΔHf, kcal/mol:

-109.45

Dipole, Da:

6.2

IP(EA), eV:

 -9.28(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2CCCO2)N(CC3CC4CC5C(CC4NC3=O)OCO5)CC6=CC=C(C=C6)C

DOS

IR

Vibrations