Geometry & MOs

Info

ID:	285011
PubChem CID:	104090614
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	38.65
Dipole, Da:	1.66
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)hex-5-yn-1-ol

Drug info:

PubChemData

Smile

C#CCCCC(C1=CC=C(C=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations