Geometry & MOs

Info

ID:	402750
PubChem CID:	135057132
Reduced:	OS2C8H18 (1)
Stoich.:	AB2C8D18 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	2.72
IP(EA), eV:	-8.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-chloro-3-methoxyindazole

Drug info:

PubChemData

Smile

CCCCSS(=O)C(C)(C)C

DOS

IR

Vibrations