Geometry & MOs

Info

ID:	212268
PubChem CID:	81059961
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	28.44
Dipole, Da:	3.6
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations