Geometry & MOs

Info

ID:	375087
PubChem CID:	131465887
Reduced:	SO2N3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-8.97
Dipole, Da:	9.49
IP(EA), eV:	-9.09(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-3-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(SN=C2N=C1)N

DOS

IR

Vibrations