Geometry & MOs

Info

ID:	311237
PubChem CID:	126590001
Reduced:	ClNOH16C24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	321.99933
ΔH_f, kcal/mol:	68.05
Dipole, Da:	1.73
IP(EA), eV:	-8.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-bromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=CC=C3)NC4=CC=CC=C4Cl)OC5=CC=CC=C25

DOS

IR

Vibrations