Geometry & MOs

Info

ID:	182227
PubChem CID:	76861687
Reduced:	ON4C8H9 (2)
Stoich.:	AB4C8D9 (2)
Weight, g/mol:	351.12577
ΔH_f, kcal/mol:	51.24
Dipole, Da:	5.28
IP(EA), eV:	-10.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[2-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)N3C=NC4C3C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations