Geometry & MOs

Info

ID:	379431
PubChem CID:	134419416
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	2.62
IP(EA), eV:	-9.29(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-2,6-dihydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C1CC(CC(O1)O)(C)C)C2=CN=CN2

DOS

IR

Vibrations