Geometry & MOs

Info

ID:	327330
PubChem CID:	126689557
Reduced:	N4H19C21 (2)
Stoich.:	A4B19C21 (2)
Weight, g/mol:	652.306293
ΔH_f, kcal/mol:	359.95
Dipole, Da:	3.73
IP(EA), eV:	-8.94(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3,4-tris(3-cyanopropyl)-5-porphyrin-2-ylphenyl]butanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=C(C=C2N6)CCCC#N)CCCC#N)C=C5)CCCC#N)C=C4)CCCC#N)N3

DOS

IR

Vibrations