Geometry & MOs

Info

ID:	234110
PubChem CID:	92297750
Reduced:	ON6C34H38 (1)
Stoich.:	AB6C34D38 (1)
Weight, g/mol:	538.224787
ΔH_f, kcal/mol:	84.75
Dipole, Da:	11.67
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-[benzyl-[(4-chlorophenyl)methyl]amino]-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C4CCCC4)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)C(C)C

DOS

IR

Vibrations