Geometry & MOs

Info

ID:	149667
PubChem CID:	53789341
Reduced:	FOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	420.093306
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	3.11
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-2-cyano-5-hydroxy-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCF

DOS

IR

Vibrations