Geometry & MOs

Info

ID:	399856
PubChem CID:	135043154
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-11.26
Dipole, Da:	3.68
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-6,7-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CN=CC(=N2)OC

DOS

IR

Vibrations