Geometry & MOs

Info

ID:	78963
PubChem CID:	49742872
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	6.09
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-nitrophenyl)-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)N4)C(C)C)C

DOS

IR

Vibrations