Geometry & MOs

Info

ID:	61646
PubChem CID:	26711349
Reduced:	F3N4O4C19H19 (1)
Stoich.:	A3B4C4D19E19 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	-198.31
Dipole, Da:	8.69
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations