Geometry & MOs

Info

ID:	380447
PubChem CID:	134970898
Reduced:	NOCl2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	753.096033
ΔH_f, kcal/mol:	40.42
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060470
Charge, e:	1

Chem-info

IUPAC name:

[4-[10,15,20-tris(4-chlorophenyl)-23,24-dihydroporphyrin-5-yl]phenyl]chloranium

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C#[N+][O-])[ClH+]

DOS

IR

Vibrations