Geometry & MOs

Info

ID:	182239
PubChem CID:	76862630
Reduced:	NO4H21C25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	254.066697
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	5.88
IP(EA), eV:	-8.63(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N

DOS

IR

Vibrations