Geometry & MOs

Info

ID:	253226
PubChem CID:	103116924
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	9.03
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3(CC3)C(=O)O

DOS

IR

Vibrations