Geometry & MOs

Info

ID:	194666
PubChem CID:	78571208
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	400.117155
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	2.5
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-[(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)CNC1=CC=CC=C1OC)C2=CC=C(C=C2)F

DOS

IR

Vibrations