Geometry & MOs

Info

ID:	306312
PubChem CID:	125003711
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(3S)-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