Geometry & MOs

Info

ID:	20534
PubChem CID:	584503
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-159.21
Dipole, Da:	2.25
IP(EA), eV:	-10.2(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations