Geometry & MOs

Info

ID:	192606
PubChem CID:	78290893
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	406.048712
ΔH_f, kcal/mol:	20.46
Dipole, Da:	2.67
IP(EA), eV:	-8.78(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)C)C)[N+](=O)[O-]

DOS

IR

Vibrations