Geometry & MOs

Info

ID:	433209
PubChem CID:	135173346
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	4.09
IP(EA), eV:	-8.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]acetate

Drug info:

PubChemData

Smile

CS(=O)NCC1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations