Geometry & MOs

Info

ID:	213711
PubChem CID:	81064743
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-167.73
Dipole, Da:	2.05
IP(EA), eV:	-9.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations