Geometry & MOs

Info

ID:	79359
PubChem CID:	49748235
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	390.090183
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	2.57
IP(EA), eV:	-8.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations