Geometry & MOs

Info

ID:	403102
PubChem CID:	135058766
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	402.119127
ΔH_f, kcal/mol:	33.28
Dipole, Da:	0.89
IP(EA), eV:	-8.97(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxobutyl)-N-quinolin-8-yl-5-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=CC(=C2/C=N/OC)C

DOS

IR

Vibrations