Geometry & MOs

Info

ID:	22160
PubChem CID:	596119
Reduced:	O2C17H28 (1)
Stoich.:	A2B17C28 (1)
Weight, g/mol:	264.20893
ΔH_f, kcal/mol:	-152.46
Dipole, Da:	1.98
IP(EA), eV:	-10.15(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3,5-dimethyladamantane-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations