Geometry & MOs

Info

ID:	30019
PubChem CID:	838912
Reduced:	N4H8C13 (1)
Stoich.:	A4B8C13 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	123.63
Dipole, Da:	6.39
IP(EA), eV:	-9.41(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylpiperazin-1-yl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=C(N2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations