Geometry & MOs

Info

ID:	223455
PubChem CID:	85335068
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	367.083156
ΔH_f, kcal/mol:	15.12
Dipole, Da:	4.2
IP(EA), eV:	-8.59(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C1NC2C(CNN2)C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)C

DOS

IR

Vibrations