Geometry & MOs

Info

ID:	237818
PubChem CID:	92721719
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	5.45
IP(EA), eV:	-9.77(-0.57)
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-benzyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=O)N(CC(=O)N2C1)CC3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations