Geometry & MOs

Info

ID:	283024
PubChem CID:	103953635
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	4.53
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-methylpyrazol-3-yl)amino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)CNCC1=C(C(=CC=C1)O)O

DOS

IR

Vibrations