Geometry & MOs

Info

ID:	414184
PubChem CID:	135087140
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	3.91
IP(EA), eV:	-8.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(4-methoxyphenyl)phenol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNS(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations