Geometry & MOs

Info

ID:	399857
PubChem CID:	135043203
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	236.131349
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	4.3
IP(EA), eV:	-9.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,6-trimethylphenyl)indazole

Drug info:

PubChemData

Smile

CC1CC(C2=CC=CC=C2C(=O)C1C)O

DOS

IR

Vibrations