Geometry & MOs

Info

ID:

192723

PubChem CID:

78304474

Reduced:

O2N6C33H44 (1)

Stoich.:

A2B6C33D44 (1)

Weight, g/mol:

544.352575

ΔHf, kcal/mol:

-4.81

Dipole, Da:

7.42

IP(EA), eV:

 -8.62(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(C3CC4CCCC(C4NC3=O)C)C5=NN=NN5C6CCCC6

DOS

IR

Vibrations