Geometry & MOs

Info

ID:	182129
PubChem CID:	76850774
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	172.040341
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	4.68
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diamino-6-chloro-2-methylphenol

Drug info:

PubChemData

Smile

CN1CC2=C(C=CC(=C2C1=O)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations