Geometry & MOs

Info

ID:	394311
PubChem CID:	135022749
Reduced:	NH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	95.62
Dipole, Da:	2.56
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-hydroxytricyclo[7.2.2.01,7]trideca-3,12-dien-11-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations