Geometry & MOs

Info

ID:	179073
PubChem CID:	76429708
Reduced:	N2O2C31H36 (1)
Stoich.:	A2B2C31D36 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	4.85
IP(EA), eV:	-8.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CC(CN(C2)CC3=CC4=CC=CC=C4C=C3)COC5=CC6=C(CCC6)C=C5

DOS

IR

Vibrations