Geometry & MOs

Info

ID:	204089
PubChem CID:	79910420
Reduced:	N4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	324.121772
ΔH_f, kcal/mol:	74.34
Dipole, Da:	4.04
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylsulfanylethanol

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC=NC=C2N

DOS

IR

Vibrations