Geometry & MOs

Info

ID:	317304
PubChem CID:	126635486
Reduced:	ClOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	507.213362
ΔH_f, kcal/mol:	15.17
Dipole, Da:	7.14
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-phenyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(N=C(S2)C3=CN=CC=C3)Cl

DOS

IR

Vibrations