Geometry & MOs

Info

ID:	139645
PubChem CID:	52574385
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	4.04
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C)C)C(=O)C2=C(N=C(S2)C)C

DOS

IR

Vibrations