Geometry & MOs

Info

ID:	295236
PubChem CID:	117522780
Reduced:	ClN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	258.067224
ΔH_f, kcal/mol:	87.21
Dipole, Da:	8.3
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=C(N=C2C3=CC=CC=C3Cl)C#N)CN1

DOS

IR

Vibrations