Geometry & MOs

Info

ID:	20711
PubChem CID:	585341
Reduced:	OC10H17 (2)
Stoich.:	AB10C17 (2)
Weight, g/mol:	306.25588
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	1.67
IP(EA), eV:	-9.97(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl octanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCCC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations