Geometry & MOs

Info

ID:	162324
PubChem CID:	57394307
Reduced:	OC4H4 (5)
Stoich.:	AB4C4 (5)
Weight, g/mol:	356.097249
ΔH_f, kcal/mol:	-165.35
Dipole, Da:	4.57
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2(CC(=O)OC2C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations