Geometry & MOs

Info

ID:	198397
PubChem CID:	79095910
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	4.54
Dipole, Da:	5.27
IP(EA), eV:	-8.23(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-methyl-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C(=C2)N3CCN4C(C3)CNC4=O)N

DOS

IR

Vibrations