Geometry & MOs

Info

ID:	83830
PubChem CID:	49861637
Reduced:	O2N4C23H40 (1)
Stoich.:	A2B4C23D40 (1)
Weight, g/mol:	497.313268
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	1.13
IP(EA), eV:	-8.12(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]-N-propylcyclohexane-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1CCCCC1N2CCN(CC2)CCCCN3CC(=O)N4CCCCC4C3=O

DOS

IR

Vibrations