Geometry & MOs

Info

ID:	382050
PubChem CID:	134972961
Reduced:	Br2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	276.11503
ΔH_f, kcal/mol:	10.6
Dipole, Da:	3.68
IP(EA), eV:	-9.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,17S)-tetracyclo[14.2.1.02,6.06,17]nonadeca-4,16(19)-dien-7,14-diyne-3,18-dione

Drug info:

PubChemData

Smile

C1CC(=O)C(=C1C#CCCCCCC#CC2=C(C(=O)CC2)Br)Br

DOS

IR

Vibrations