Geometry & MOs

Info

ID:	212217
PubChem CID:	81059860
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	1.83
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)O)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations