Geometry & MOs

Info

ID:	32402
PubChem CID:	7780965
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-129.32
Dipole, Da:	4.87
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations