Geometry & MOs

Info

ID:	89751
PubChem CID:	49964287
Reduced:	OCl3N3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	515.242021
ΔH_f, kcal/mol:	2.67
Dipole, Da:	4.67
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propan-2-ol;oxalate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)/N

DOS

IR

Vibrations