Geometry & MOs

Info

ID:	212581
PubChem CID:	81061087
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	8.52
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCNC(=O)C2

DOS

IR

Vibrations