Geometry & MOs

Info

ID:	182240
PubChem CID:	76862631
Reduced:	ON2F3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	317.105193
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	3.65
IP(EA), eV:	-10.38(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-methoxy-1-benzofuran-2-yl)-2-(3-methylbenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CNC(=O)C(=CC1=CC=C(C=C1)C(F)(F)F)C#N

DOS

IR

Vibrations