Geometry & MOs

Info

ID:	22161
PubChem CID:	596120
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-162.62
Dipole, Da:	2.06
IP(EA), eV:	-10.19(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 3,5-dimethyladamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C12CC3CC(C1)(CC(C3)(C2)C)C

DOS

IR

Vibrations