Geometry & MOs

Info

ID:	317266
PubChem CID:	126635278
Reduced:	OSN3C23H35 (1)
Stoich.:	ABC3D23E35 (1)
Weight, g/mol:	474.299476
ΔH_f, kcal/mol:	-29.66
Dipole, Da:	4.94
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC/C=C(\C(C)C)/N(/C(=C(\C)/NC(=S)C1=CN=C(C=C1)CC)/C)C(=O)C(C)C

DOS

IR

Vibrations