Geometry & MOs

Info

ID:	56527
PubChem CID:	17436115
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	331.102
ΔH_f, kcal/mol:	-132.68
Dipole, Da:	9.62
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

DOS

IR

Vibrations