Geometry & MOs

Info

ID:	28402
PubChem CID:	827375
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	1.23
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol

Drug info:

PubChemData

Smile

CNCC1=CC=CC=C1SC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations