Geometry & MOs

Info

ID:	192962
PubChem CID:	78329639
Reduced:	O3N6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	10.2
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901232
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CCC3=CC=CC=C3)NN=CC4=CC=C(C=C4)OC

DOS

IR

Vibrations