Geometry & MOs

Info

ID:	375390
PubChem CID:	131500175
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	37.3
Dipole, Da:	5.68
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-amino-2,2-dimethylpropyl]-4-methylsulfanylphenol

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1C#N)N)C2CC2

DOS

IR

Vibrations