Geometry & MOs

Info

ID:	33176
PubChem CID:	7885275
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	331.097521
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	2.96
IP(EA), eV:	-9.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)Cl)C

DOS

IR

Vibrations