Geometry & MOs

Info

ID:	221483
PubChem CID:	85273763
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	310.19328
ΔH_f, kcal/mol:	56.58
Dipole, Da:	5.27
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methylpentacyclo[13.3.2.01,14.02,11.05,10]icosa-5(10),6,8,19-tetraene-7,15-diol

Drug info:

PubChemData

Smile

COC(=NC(=NC1=CC=CC=C1)SCC=C)C2=CC=CC=C2

DOS

IR

Vibrations