Geometry & MOs

Info

ID:	182636
PubChem CID:	76916908
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	9.29
IP(EA), eV:	-10.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[(6-oxo-3H-pyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC=CC(=O)NCC1(CCCCC1)CC(=O)O

DOS

IR

Vibrations