Geometry & MOs

Info

ID:	266455
PubChem CID:	103567083
Reduced:	NSO2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	6.97
Dipole, Da:	7.37
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(3-phenoxypropoxy)benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=CSC=C2

DOS

IR

Vibrations