Geometry & MOs

Info

ID:	237812
PubChem CID:	92721689
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-120.46
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.4)
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-piperidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations