Geometry & MOs

Info

ID:	217020
PubChem CID:	85087127
Reduced:	O3C20H36 (1)
Stoich.:	A3B20C36 (1)
Weight, g/mol:	324.266445
ΔH_f, kcal/mol:	-201.74
Dipole, Da:	4.17
IP(EA), eV:	-9.49(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(hydroxymethyl)-3,7,13-trimethyl-10-propan-2-ylcyclotrideca-3,8-diene-1,7-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCC1CCC(=CC(=O)OC(C)(C)C)O1

DOS

IR

Vibrations