Geometry & MOs

Info

ID:	154481
PubChem CID:	56313926
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	3.87
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC=CO1)C2=CC=CC=C2F

DOS

IR

Vibrations