Geometry & MOs

Info

ID:	313115
PubChem CID:	126612069
Reduced:	NO3H33C52 (1)
Stoich.:	AB3C33D52 (1)
Weight, g/mol:	1195.475316
ΔH_f, kcal/mol:	139.65
Dipole, Da:	2.18
IP(EA), eV:	-7.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N4C5=C(C=CC(=C5)C6=CC7=CC=CC=C7O6)OC8=C4C=C(C=C8)C9=CC1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations