Geometry & MOs

Info

ID:	212269
PubChem CID:	81059964
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	6.68
IP(EA), eV:	-9.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2(CCCC2)CC(=O)O

DOS

IR

Vibrations