Geometry & MOs

Info

ID:	192188
PubChem CID:	78238384
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	430.144806
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	1.85
IP(EA), eV:	-8.24(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-3H-quinolin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1C(C(=O)C2CC(CCC2N1)OC)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations