Geometry & MOs

Info

ID:	213977
PubChem CID:	81065614
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	3.19
IP(EA), eV:	-8.87(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-carbamoylpyridin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N)NCC(C)CC(=O)O)C

DOS

IR

Vibrations