Geometry & MOs

Info

ID:	204865
PubChem CID:	80022502
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	0.56
IP(EA), eV:	-9.17(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[1-(sulfanylmethyl)cyclohexyl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCC(CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)CS

DOS

IR

Vibrations