Geometry & MOs

Info

ID:	403761
PubChem CID:	135061773
Reduced:	NO8C11H15 (1)
Stoich.:	AB8C11D15 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-257.87
Dipole, Da:	5.59
IP(EA), eV:	-11.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-ylidene-3,3a,4,5,6,7,8,8a-octahydroazulen-1-one

Drug info:

PubChemData

Smile

CC(=O)OC(CC(C(=O)OC)C(=O)OC)C(=C)[N+](=O)[O-]

DOS

IR

Vibrations