Geometry & MOs

Info

ID:	212424
PubChem CID:	81060510
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	6.17
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-2,6-dimethylpyridin-4-yl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2CCC(C2)C(=O)O

DOS

IR

Vibrations