Geometry & MOs

Info

ID:	147205
PubChem CID:	53786859
Reduced:	ClON2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	398.183316
ΔH_f, kcal/mol:	50.62
Dipole, Da:	3.95
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-chloropiperidin-2-yl)-7-oxo-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyrazin-5-yl] 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C=C2C3=CC=CC=C3N(C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations