Geometry & MOs

Info

ID:	20740
PubChem CID:	585454
Reduced:	OC12H21 (2)
Stoich.:	AB12C21 (2)
Weight, g/mol:	362.318481
ΔH_f, kcal/mol:	-182.77
Dipole, Da:	2.08
IP(EA), eV:	-10.16(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridecan-3-yl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CC)OC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations