Geometry & MOs

Info

ID:	215867
PubChem CID:	85085365
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	1.81
IP(EA), eV:	-9.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,7a-trimethyl-1,4,6,7-tetrahydroinden-5-one

Drug info:

PubChemData

Smile

CC(=O)C(=NO)CC1=CN=CC=C1

DOS

IR

Vibrations