Geometry & MOs

Info

ID:	147593
PubChem CID:	53787249
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	206.049843
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	5.66
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-2-ethynylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CN(C(=O)CCC(=O)C1C2=CC=CC=C2OC3=C(N1)C=C(C=C3)Cl)OC

DOS

IR

Vibrations