Geometry & MOs

Info

ID:	85863
PubChem CID:	49879789
Reduced:	Cl2O2N3H21C24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	357.051634
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	10.98
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chlorophenyl)-2-cyano-3-(4-methoxy-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C)/C#N

DOS

IR

Vibrations