Geometry & MOs

Info

ID:	154480
PubChem CID:	56313925
Reduced:	BrFNOC21H27 (1)
Stoich.:	ABCDE21F27 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	1.21
IP(EA), eV:	-9.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C12CC3CC(C1)CC(C3)(C2)Br)C4=CC=CC=C4F

DOS

IR

Vibrations