Geometry & MOs

Info

ID:	89683
PubChem CID:	49963661
Reduced:	FNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	308.073471
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	6.39
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-(2,4-dichlorophenyl)methanol

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(C3=C(N=CC=C3)F)O

DOS

IR

Vibrations