Geometry & MOs

Info

ID:	198371
PubChem CID:	79092160
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	4.83
IP(EA), eV:	-8.98(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCN1CC2CNCCN2C1=O

DOS

IR

Vibrations