Geometry & MOs

Info

ID:	60016
PubChem CID:	26664627
Reduced:	FNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	5.18
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-3-(2-nitrophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)/C=C/C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations