Geometry & MOs

Info

ID:	199050
PubChem CID:	79190591
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	2.74
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CC(=C)C(=O)C1=CC2=CC=CC=C2O1

DOS

IR

Vibrations