Geometry & MOs

Info

ID:	195167
PubChem CID:	78649210
Reduced:	N2O7H14C19 (1)
Stoich.:	A2B7C14D19 (1)
Weight, g/mol:	323.107005
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	4.93
IP(EA), eV:	-9.64(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)[N+](=O)[O-])COC(=O)C=CC3=NC4=CC=CC=C4O3)OCO1

DOS

IR

Vibrations