Geometry & MOs

Info

ID:	355475
PubChem CID:	127288538
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	6.11
IP(EA), eV:	-8.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations