Geometry & MOs

Info

ID:	149705
PubChem CID:	53789379
Reduced:	NO2F3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-220.66
Dipole, Da:	5.96
IP(EA), eV:	-9.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,6-dimethylphenol;ethane

Drug info:

PubChemData

Smile

C1CC(CCC1COC2CCC(CC2)C=CC#N)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations