Geometry & MOs

Info

ID:	147501
PubChem CID:	53787157
Reduced:	BrO3N4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	618.278347
ΔH_f, kcal/mol:	34.67
Dipole, Da:	7.33
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,10,15,20-tetraphenyl-2,3,21,22,23,24-hexahydroporphyrin

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations