Geometry & MOs

Info

ID:	187478
PubChem CID:	77577966
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	319.04856
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	7.77
IP(EA), eV:	-9.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl 1-chloro-3,4-dioxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-5-ium-6-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC(C1)(N(C2)CCN3CCN(CC3)C(=O)O)C4=NC5=C(C=CC=C5N4)C(=O)N

DOS

IR

Vibrations