Geometry & MOs

Info

ID:	212348
PubChem CID:	81060242
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	17.49
Dipole, Da:	3.13
IP(EA), eV:	-9.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCN2C=C(N=N2)C(=O)O

DOS

IR

Vibrations