Geometry & MOs

Info

ID:	212423
PubChem CID:	81060502
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	29.09
Dipole, Da:	2.82
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=C(C(=NC(=C2)C)C)C(=S)N)C

DOS

IR

Vibrations