Geometry & MOs

Info

ID:	412832
PubChem CID:	135085761
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	223.98368
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	4.35
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(2-ethoxyethynyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)CC(C(C)O)O)OC

DOS

IR

Vibrations