Geometry & MOs

Info

ID:	28261
PubChem CID:	826613
Reduced:	O4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	6.72
IP(EA), eV:	-9.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenol

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H]1[C@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O

DOS

IR

Vibrations