Geometry & MOs

Info

ID:	163505
PubChem CID:	58009818
Reduced:	O5C12H16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-206.19
Dipole, Da:	1.67
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaen-12-yl)cyclohexen-1-yl]pentan-2-ol

Drug info:

PubChemData

Smile

CCC1=C(CC(=C1C(=O)OC)O)C(=O)OCC

DOS

IR

Vibrations