Geometry & MOs

Info

ID:	327329
PubChem CID:	126689554
Reduced:	NO3F6H31C33 (1)
Stoich.:	AB3C6D31E33 (1)
Weight, g/mol:	654.321943
ΔH_f, kcal/mol:	-377.79
Dipole, Da:	4.73
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10,15,20-tris(3-cyanopropyl)-5-phenyl-21,22-dihydroporphyrin-2-yl]butanenitrile

Drug info:

PubChemData

Smile

CC1(CC(C2=C1C=C(C(=C2)COC3=NC(=C4[C@@H]5[C@H]([C@@H]5C(C4=C3)(F)F)C(=O)O)C(C)(C)C)F)C6=CC=CC=C6C(F)(F)F)C

DOS

IR

Vibrations