Geometry & MOs

Info

ID:	253558
PubChem CID:	103119227
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	6.33
IP(EA), eV:	-10.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindazole-3-carbonyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations