Geometry & MOs

Info

ID:	320274
PubChem CID:	126659129
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	491.220892
ΔH_f, kcal/mol:	111.95
Dipole, Da:	5.52
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1)NC2=NC=NC3=C2C=CC=C3C(=O)N)C4=CC(=CC=C4)C5C=N5

DOS

IR

Vibrations