Geometry & MOs

Info

ID:	319989
PubChem CID:	126657742
Reduced:	ON2H13C17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	258.081143
ΔH_f, kcal/mol:	124.66
Dipole, Da:	3.32
IP(EA), eV:	-9.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2CC#N)C3=CC(=C(C(=C3)CC#N)OCC4=CC=CC=C4)CC#N)CC#N

DOS

IR

Vibrations