Geometry & MOs

Info

ID:	413083
PubChem CID:	135086027
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	280.04628
ΔH_f, kcal/mol:	13.78
Dipole, Da:	4.29
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)oct-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C#CN(C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations