Geometry & MOs

Info

ID:	375352
PubChem CID:	131500062
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	3.73
IP(EA), eV:	-9.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-2,3-dihydroxypropyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(C(CO)O)N)C#N

DOS

IR

Vibrations