Geometry & MOs

Info

ID:	285012
PubChem CID:	104090623
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	6.6
Dipole, Da:	1.25
IP(EA), eV:	-9.31(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyloct-7-yn-3-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CCCC#C)O

DOS

IR

Vibrations