Geometry & MOs

Info

ID:	237801
PubChem CID:	92721606
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-123.37
Dipole, Da:	6.18
IP(EA), eV:	-8.95(-0.75)
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-(diethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)N(CC(=O)N2C1)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations