Geometry & MOs

Info

ID:	395295
PubChem CID:	135025110
Reduced:	PN3O8C36H46 (1)
Stoich.:	AB3C8D36E46 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-233.84
Dipole, Da:	6.75
IP(EA), eV:	-8.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-8-one

Drug info:

PubChemData

Smile

CC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COP(N(C(C)C)C(C)C)OCCC#N)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations