Geometry & MOs

Info

ID:	212639
PubChem CID:	81061287
Reduced:	SN3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	4.33
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]-2-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations