Geometry & MOs

Info

ID:	212460
PubChem CID:	81060593
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	4.54
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations