Geometry & MOs

Info

ID:	221840
PubChem CID:	85286197
Reduced:	FN2O4C39H51 (1)
Stoich.:	AB2C4D39E51 (1)
Weight, g/mol:	630.229339
ΔH_f, kcal/mol:	-239.52
Dipole, Da:	3.95
IP(EA), eV:	-8.93(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-15-tert-butyl-10,20-diphenylporphyrin-21,22-diide;nickel(2+)

Drug info:

PubChemData

Smile

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)F)C(=O)NC(C(=O)NC3=CC=CC=C3)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations