Geometry & MOs

Info

ID:	232172
PubChem CID:	87575641
Reduced:	BrClNO3C16H23 (1)
Stoich.:	ABCD3E16F23 (1)
Weight, g/mol:	247.02521
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	5.87
IP(EA), eV:	-9.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyloct-1-yn-3-ol;silver

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=CC(=CN=C1)Br.CC(C)(C)C(=O)Cl

DOS

IR

Vibrations