Geometry & MOs

Info

ID:	237794
PubChem CID:	92721595
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-120.73
Dipole, Da:	5.19
IP(EA), eV:	-8.78(-0.42)
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-(3,4-dimethoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations