Geometry & MOs

Info

ID:	392684
PubChem CID:	135017604
Reduced:	ClNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	247.108267
ΔH_f, kcal/mol:	-55.84
Dipole, Da:	2.17
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](N(C1=O)C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations