Geometry & MOs

Info

ID:	212425
PubChem CID:	81060511
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	6.51
Dipole, Da:	7.44
IP(EA), eV:	-10.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CC#C)CC(=O)O

DOS

IR

Vibrations