Geometry & MOs

Info

ID:	253181
PubChem CID:	103116589
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	2.28
IP(EA), eV:	-9.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC(=O)O)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations