Geometry & MOs

Info

ID:	237811
PubChem CID:	92721687
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	5.14
IP(EA), eV:	-8.5(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations