Geometry & MOs

Info

ID:	126530
PubChem CID:	50967269
Reduced:	N5H9C11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	105.62
Dipole, Da:	4.97
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=NC=C(N=C3)N

DOS

IR

Vibrations