Geometry & MOs

Info

ID:	211723
PubChem CID:	81051005
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	3.22
IP(EA), eV:	-8.73(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C2=C(C(=NC(=C2)C)C)CN

DOS

IR

Vibrations