Geometry & MOs

Info

ID:	173192
PubChem CID:	75608630
Reduced:	NO2F3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	399.144613
ΔH_f, kcal/mol:	-160.5
Dipole, Da:	4.96
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-propan-2-ylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations