Geometry & MOs

Info

ID:	296503
PubChem CID:	117580019
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	4.75
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CNC(CO)CO)NC=N2

DOS

IR

Vibrations