Geometry & MOs

Info

ID:	268349
PubChem CID:	103599013
Reduced:	FO3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	344.128469
ΔH_f, kcal/mol:	34.93
Dipole, Da:	3.22
IP(EA), eV:	-8.9(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N2C=CC=N2)NC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations