Geometry & MOs

Info

ID:	165223
PubChem CID:	74519776
Reduced:	ClN3O4H12C17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	314.086684
ΔH_f, kcal/mol:	4.03
Dipole, Da:	2.53
IP(EA), eV:	-9.09(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,6-difluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

DOS

IR

Vibrations