Geometry & MOs

Info

ID:	237796
PubChem CID:	92721598
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	4.35
IP(EA), eV:	-8.25(-0.51)
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-(2,3-dimethylphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCC[C@H]4C3=O)OC

DOS

IR

Vibrations