Geometry & MOs

Info

ID:	170900
PubChem CID:	75296131
Reduced:	ClON2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	460.225949
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	1.65
IP(EA), eV:	-9.27(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9a-dimethyl-7-pyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[8,7-b]furan-2,9-dione;dihydrochloride

Drug info:

PubChemData

Smile

CCCCCC1C(C(C(=N1)N)O)C.Cl

DOS

IR

Vibrations