Geometry & MOs

Info

ID:	130001
PubChem CID:	51074555
Reduced:	FNOC5H6 (3)
Stoich.:	ABCD5E6 (3)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-280.66
Dipole, Da:	2.99
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-(2,6-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations