Geometry & MOs

Info

ID:	198363
PubChem CID:	79091966
Reduced:	BrO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	279.138305
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	3.57
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)N2CCN3C(C2)CNC3=O)Br)O

DOS

IR

Vibrations