Geometry & MOs

Info

ID:	44155
PubChem CID:	10501215
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-205.35
Dipole, Da:	2.74
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=O)C(=C(N2)C3=CC(=C(C(=C3)OC)OC)OC)OC

DOS

IR

Vibrations