Geometry & MOs

Info

ID:	139646
PubChem CID:	52574724
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	3.92
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(C)C(=O)/C=C/C1=CC=C(C=C1)F

DOS

IR

Vibrations