Geometry & MOs

Info

ID:	197612
PubChem CID:	78982032
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	296.056385
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	3.71
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-[(5-oxopyrrolidine-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

C1C(CNC1=O)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations