Geometry & MOs

Info

ID:	32091
PubChem CID:	4266013
Reduced:	NC22H27 (1)
Stoich.:	AB22C27 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	27.76
Dipole, Da:	2.86
IP(EA), eV:	-8.21(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4a,5-dimethyl-3-(piperazin-1-ylmethyl)-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CCCCC(CC)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3

DOS

IR

Vibrations