Geometry & MOs

Info

ID:	194605
PubChem CID:	78560793
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	361.088099
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	4.09
IP(EA), eV:	-9.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(3-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)OCC(=O)NC(=O)NC2CCCC2

DOS

IR

Vibrations