Geometry & MOs

Info

ID:	295235
PubChem CID:	117522629
Reduced:	BrN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	258.067224
ΔH_f, kcal/mol:	38.26
Dipole, Da:	6.41
IP(EA), eV:	-8.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=C3N2CCCN3)Br)C

DOS

IR

Vibrations