Geometry & MOs

Info

ID:	293980
PubChem CID:	117420741
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	4.94
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1-methylindazol-7-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1Cl)C2=C(ON=C2)N)OC

DOS

IR

Vibrations