Geometry & MOs

Info

ID:	225124
PubChem CID:	85741869
Reduced:	OH2C3N4 (1)
Stoich.:	AB2C3D4 (1)
Weight, g/mol:	232.101878
ΔH_f, kcal/mol:	101.9
Dipole, Da:	1.54
IP(EA), eV:	-9.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chlorohexa-1,3,5-trienyl)-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

C1=C(ON=C1)N=[N+]=[N-]

DOS

IR

Vibrations