Geometry & MOs

Info

ID:

192722

PubChem CID:

78304473

Reduced:

ClO2N6C30H39 (1)

Stoich.:

AB2C6D30E39 (1)

Weight, g/mol:

556.352575

ΔHf, kcal/mol:

0.54

Dipole, Da:

10.19

IP(EA), eV:

 -9.19(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[benzyl-[(4-ethoxyphenyl)methyl]amino]-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CCCC2C1NC(=O)C(C2)C(C3=NN=NN3CCOC)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations