Geometry & MOs

Info

ID:	395038
PubChem CID:	135024495
Reduced:	F2O6N9C17H17 (1)
Stoich.:	A2B6C9D17E17 (1)
Weight, g/mol:	544.276616
ΔH_f, kcal/mol:	-133.33
Dipole, Da:	7.37
IP(EA), eV:	-9.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9,15,16-tetraphenylpentacyclo[8.4.2.12,9.01,10.03,8]heptadeca-3(8),15-dien-17-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C(N1C)F)NC(=O)C2=NC(=C(N2C)F)NC(=O)C3=NC(=CN3C)[N+](=O)[O-]

DOS

IR

Vibrations