Geometry & MOs

Info

ID:	225043
PubChem CID:	85735833
Reduced:	ClO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	389.94801
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	3.17
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-bromo-3-(2-iodoethyl)hex-1-yn-3-yl]benzene

Drug info:

PubChemData

Smile

C1C(O1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)OCC(O)Cl

DOS

IR

Vibrations