Geometry & MOs

Info

ID:	253150
PubChem CID:	103116343
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	6.11
IP(EA), eV:	-9.92(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations