Geometry & MOs

Info

ID:	285295
PubChem CID:	104098973
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	117.59
Dipole, Da:	7.23
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(triazol-1-yl)ethylamino]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CNCCN3C=CN=N3

DOS

IR

Vibrations