Geometry & MOs

Info

ID:	32229
PubChem CID:	6436029
Reduced:	OC9H16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	424.308979
ΔH_f, kcal/mol:	-125.69
Dipole, Da:	1.71
IP(EA), eV:	-9.33(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine

Drug info:

PubChemData

Smile

CCCC/C=C/CC/C=C\CCCCCCOC(=O)C

DOS

IR

Vibrations