Geometry & MOs

Info

ID:	412954
PubChem CID:	135085891
Reduced:	ClOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	37.04
Dipole, Da:	3.77
IP(EA), eV:	-10.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethynyl)-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

C1CC2C1C3C2C(C3)C(=O)Cl

DOS

IR

Vibrations