Geometry & MOs

Info

ID:	149097
PubChem CID:	53788768
Reduced:	ClON2C27H27 (1)
Stoich.:	ABC2D27E27 (1)
Weight, g/mol:	141.042593
ΔH_f, kcal/mol:	40.66
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxyamino)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1CN(CCC1[C@H](C2=CN=CC=C2)O)C[C@@]34C[C@@H](C5=C3C=C(C=C5)Cl)C6=CC=CC=C46

DOS

IR

Vibrations