Geometry & MOs

Info

ID:	36367
PubChem CID:	8002527
Reduced:	NO3H9C11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	332.086015
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	8.69
IP(EA), eV:	-9.02(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-difluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations