Geometry & MOs

Info

ID:	237819
PubChem CID:	92721731
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	455.161184
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	1.88
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-[2-(4-chlorophenyl)ethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations