Geometry & MOs

Info

ID:	237799
PubChem CID:	92721601
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	4.39
IP(EA), eV:	-9.0(-0.28)
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-(dimethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations