Geometry & MOs

Info

ID:	396262
PubChem CID:	135027884
Reduced:	N3H21C23 (1)
Stoich.:	A3B21C23 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	123.47
Dipole, Da:	4.89
IP(EA), eV:	-8.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C2=CC=CC=C2)N3C=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations