Geometry & MOs

Info

ID:	21133
PubChem CID:	587310
Reduced:	ClNO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	333.0404
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	5.61
IP(EA), eV:	-10.14(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations