Geometry & MOs

Info

ID:	266457
PubChem CID:	103567096
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	285.08235
ΔH_f, kcal/mol:	3.63
Dipole, Da:	7.63
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(2-phenylsulfanylethoxy)benzonitrile

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)COC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations