Geometry & MOs

Info

ID:	325156
PubChem CID:	126681619
Reduced:	ON5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	276.069439
ΔH_f, kcal/mol:	48.47
Dipole, Da:	1.78
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[(3-aminophenyl)-hydroxymethyl]phenyl]methanesulfinate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(CCC3CC3)N4CCCC4)C5=CC=CC(=C5)CN

DOS

IR

Vibrations