Geometry & MOs

Info

ID:	1359
PubChem CID:	4234
Reduced:	N4H19C22 (2)
Stoich.:	A4B19C22 (2)
Weight, g/mol:	678.321943
ΔH_f, kcal/mol:	342.48
Dipole, Da:	18.29
IP(EA), eV:	-6.06(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC=[N+](C=C9)C)N3

DOS

IR

Vibrations