Geometry & MOs

Info

ID:	52638
PubChem CID:	12015589
Reduced:	O2Cl3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	371.115758
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	2.61
IP(EA), eV:	-9.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)OC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations