Geometry & MOs

Info

ID:	295237
PubChem CID:	117522781
Reduced:	ClN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	258.067224
ΔH_f, kcal/mol:	86.22
Dipole, Da:	7.39
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C(=C(N=C2C3=CC(=CC=C3)Cl)C#N)CN1

DOS

IR

Vibrations