Geometry & MOs

Info

ID:	51178
PubChem CID:	12013812
Reduced:	NOH19C24 (2)
Stoich.:	ABC19D24 (2)
Weight, g/mol:	236.035255
ΔH_f, kcal/mol:	113.0
Dipole, Da:	5.0
IP(EA), eV:	-8.11(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(E)-3-(4-chlorophenyl)prop-2-enoxy]-2-diazonioethenolate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N/C=C/2\C=C3C=CC=CC3=C(C2=O)C4=CC=CC5=CC=CC=C54)N/C=C\6/C=C7C=CC=CC7=C(C6=O)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations