Geometry & MOs

Info

ID:	198362
PubChem CID:	79091965
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	339.05824
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	7.16
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1CC=CC(=O)O

DOS

IR

Vibrations