Geometry & MOs

Info

ID:	384922
PubChem CID:	134977967
Reduced:	BrO2H11C16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	436.219101
ΔH_f, kcal/mol:	35.96
Dipole, Da:	3.52
IP(EA), eV:	-9.77(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,13Z)-2,3-diphenylpentacyclo[13.7.0.04,12.05,9.018,22]docosa-1(15),2,4(12),5(9),10,13,16,18(22)-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C2=O)C(C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations