Geometry & MOs

Info

ID:	223362
PubChem CID:	85334915
Reduced:	ClN3O4C8H12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	250.229666
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	8.79
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,6,6,9a,9b-pentamethyl-1,2,4,5,5a,7,8,9-octahydrobenzo[e][1]benzofuran

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(CCl)NNC(=O)C)N=O

DOS

IR

Vibrations