Geometry & MOs

Info

ID:	179067
PubChem CID:	76429431
Reduced:	O2N3C35H37 (1)
Stoich.:	A2B3C35D37 (1)
Weight, g/mol:	371.043961
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	2.83
IP(EA), eV:	-8.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[3-(hydroxymethyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)C3CC(CN(C3)CC4=CC5=CC=CC=C5C=C4)C(=O)NCCC6=CC=CC=C6

DOS

IR

Vibrations