Geometry & MOs

Info

ID:	237814
PubChem CID:	92721691
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-81.49
Dipole, Da:	4.54
IP(EA), eV:	-8.92(-0.41)
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-(N-ethyl-3-methylanilino)propyl]benzamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1=CC=C(C=C1)CN2CC(=O)N3CCC[C@@H]3C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations