Geometry & MOs

Info

ID:	83835
PubChem CID:	49861663
Reduced:	O2N5C23H37 (1)
Stoich.:	A2B5C23D37 (1)
Weight, g/mol:	484.318019
ΔH_f, kcal/mol:	-83.46
Dipole, Da:	4.74
IP(EA), eV:	-8.39(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2-butoxycyclohexyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C(C1)C#N)N2CCN(CC2)CCCCN3CC(=O)N4CCCCC4C3=O

DOS

IR

Vibrations