Geometry & MOs

Info

ID:	228625
PubChem CID:	87565441
Reduced:	S2O3N6H16C18 (1)
Stoich.:	A2B3C6D16E18 (1)
Weight, g/mol:	336.116004
ΔH_f, kcal/mol:	10.41
Dipole, Da:	9.52
IP(EA), eV:	-8.98(-1.34)
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;dihydrochloride

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=C(S5)NC(=O)O)C=C2

DOS

IR

Vibrations