Geometry & MOs

Info

ID:	292518
PubChem CID:	115354121
Reduced:	BrN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	315.03711
ΔH_f, kcal/mol:	68.77
Dipole, Da:	3.33
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromonaphthalen-2-yl)-5-propyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CNC(CC1=CC=NC=C1)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations