Geometry & MOs

Info

ID:	302954
PubChem CID:	124489000
Reduced:	ClOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	2.41
IP(EA), eV:	-9.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-non-8-yn-3-ol

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)O)C2=CC=CC=C2Cl

DOS

IR

Vibrations