Geometry & MOs

Info

ID:	237810
PubChem CID:	92721666
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	3.97
IP(EA), eV:	-9.52(-0.68)
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-(2-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=CC=C(C=C1)CN2CC(=O)N3CCC[C@@H]3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations