Geometry & MOs

Info

ID:	237817
PubChem CID:	92721713
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	4.25
IP(EA), eV:	-9.37(-0.46)
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-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations