Geometry & MOs

Info

ID:	122576
PubChem CID:	50812916
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	356.129156
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	5.3
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)NC(=O)C(C)C)Cl

DOS

IR

Vibrations