Geometry & MOs

Info

ID:	296510
PubChem CID:	117580834
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	2.86
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]butane-1,4-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)CNC(CCO)CO

DOS

IR

Vibrations