Geometry & MOs

Info

ID:	237795
PubChem CID:	92721597
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-158.77
Dipole, Da:	4.49
IP(EA), eV:	-8.24(-0.43)
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-[2-(3,4-dimethoxyphenyl)ethyl]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