Geometry & MOs

Info

ID:	47506
PubChem CID:	10533543
Reduced:	N3O8C50H71 (1)
Stoich.:	A3B8C50D71 (1)
Weight, g/mol:	794.18736
ΔH_f, kcal/mol:	-266.32
Dipole, Da:	10.23
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin

Drug info:

PubChemData

Smile

CCOCCOC1=C2CC3=C(C(=CC(=C3)CNC)CC4=C(C(=CC(=C4)CNC)CC5=CC(=CC(=C5OCCOCC)CC1=CC=C2)CNC)OCCOCC)OCCOCC

DOS

IR

Vibrations