Geometry & MOs

Info

ID:	4467
PubChem CID:	11450
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	2.18
IP(EA), eV:	-8.92(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)O

DOS

IR

Vibrations