Geometry & MOs

Info

ID:	222302
PubChem CID:	85296505
Reduced:	ClNOPH15C19 (1)
Stoich.:	ABCDE15F19 (1)
Weight, g/mol:	340.02968
ΔH_f, kcal/mol:	7.89
Dipole, Da:	2.9
IP(EA), eV:	-9.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-bromo-N-ethyl-4-methylanilino)-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations