Geometry & MOs

Info

ID:

192721

PubChem CID:

78304472

Reduced:

ClON6C31H41 (1)

Stoich.:

ABC6D31E41 (1)

Weight, g/mol:

550.282302

ΔHf, kcal/mol:

18.16

Dipole, Da:

9.56

IP(EA), eV:

 -9.09(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(4-chlorophenyl)methyl-(2-phenylethyl)amino]-[1-(2-methoxyethyl)tetrazol-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=NN3C(C)(C)C)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations