Geometry & MOs

Info

ID:	228626
PubChem CID:	87565444
Reduced:	ClNC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	20.98
Dipole, Da:	3.14
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-naphthalen-1-yloct-4-en-2-yne-1,6-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)C(/C=C/C#CCN)N.Cl.Cl

DOS

IR

Vibrations