Geometry & MOs

Info

ID:	234128
PubChem CID:	92297788
Reduced:	ClON6C31H31 (1)
Stoich.:	ABC6D31E31 (1)
Weight, g/mol:	534.274324
ΔH_f, kcal/mol:	87.42
Dipole, Da:	4.49
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[benzyl-[(4-methoxyphenyl)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)Cl

DOS

IR

Vibrations