Geometry & MOs

Info

ID:	212459
PubChem CID:	81060592
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	3.86
IP(EA), eV:	-9.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NC2(CCOC2)C(=O)O

DOS

IR

Vibrations