Geometry & MOs

Info

ID:	386755
PubChem CID:	134982812
Reduced:	NO7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	354.140851
ΔH_f, kcal/mol:	-145.72
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylhexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-2(7),3,5,8,10,12,15,17(22),18,20-decaene

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CC(=O)C3=CC(=C(C=C23)OC)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations