Geometry & MOs

Info

ID:	169139
PubChem CID:	75067885
Reduced:	N5C23H23 (1)
Stoich.:	A5B23C23 (1)
Weight, g/mol:	342.184447
ΔH_f, kcal/mol:	132.64
Dipole, Da:	4.74
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[naphthalen-2-yl(piperidin-3-yl)methyl]benzotriazole

Drug info:

PubChemData

Smile

C1CC(CNC1)C(C2=CC3=CC=CC=C3C=C2)N4N=C(N=N4)C5=CC=CC=C5

DOS

IR

Vibrations