Geometry & MOs

Info

ID:	232672
PubChem CID:	87576686
Reduced:	ClC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	233.087205
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	0.24
IP(EA), eV:	-10.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethynyl-3-trimethylsilylphenyl)carbamic acid

Drug info:

PubChemData

Smile

CCCC(/C=C/C(CCC)Cl)Cl

DOS

IR

Vibrations