Geometry & MOs

Info

ID:	407221
PubChem CID:	135079592
Reduced:	ClNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	303.175378
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	1.62
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-dodeca-1,3-diynyl-4-methylphenyl)azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)C2=C(C(=CC=C2)Cl)N

DOS

IR

Vibrations