Geometry & MOs

Info

ID:	237813
PubChem CID:	92721690
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-[3-[benzyl(methyl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations