Geometry & MOs

Info

ID:	125893
PubChem CID:	50942600
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	207.032516
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	5.24
IP(EA), eV:	-8.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1E,3E)-4-(4-chlorophenyl)-2-hydroxybuta-1,3-diene-1-diazonium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)C(C)C)N4CCN(CC4)C

DOS

IR

Vibrations