Geometry & MOs

Info

ID:	198372
PubChem CID:	79092161
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-8.09
Dipole, Da:	3.06
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(aminomethyl)pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CN2C(CN1)CN(C2=O)CC3=CC=CC=C3Br

DOS

IR

Vibrations