Geometry & MOs

Info

ID:	392368
PubChem CID:	135014789
Reduced:	ON4C42H80 (1)
Stoich.:	AB4C42D80 (1)
Weight, g/mol:	890.680163
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	5.69
IP(EA), eV:	-8.66(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N(CCCN(CCCCCC)CCCCN(CCCCCC)CCCNC)CC1=CC=CC=C1

DOS

IR

Vibrations