Geometry & MOs

Info

ID:	84468
PubChem CID:	49866523
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	558.171812
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	6.49
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7,12-bis(ethenyl)-3,8,13,17,18-pentamethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(4+)

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C=C(C=C3)CC[C@@H](CC(=O)O)O

DOS

IR

Vibrations