Geometry & MOs

Info

ID:	306311
PubChem CID:	125003710
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	4.09
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(3R)-3-(6-methyl-4-phenylpyridin-2-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)C(=O)[C@@H]3CC(=O)NC4=CC=CC=C34)C5=CC=CC=C5

DOS

IR

Vibrations