Geometry & MOs

Info

ID:	127270
PubChem CID:	50996716
Reduced:	BrO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	390.04915
ΔH_f, kcal/mol:	13.0
Dipole, Da:	4.96
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(cyclopropylmethyl)-5-[3-(1-fluoroethyl)pyridin-2-yl]oxybenzotriazole

Drug info:

PubChemData

Smile

COCC(C1=C(N=CC=C1)OC2=C(C3=C(C=C2)N(N=N3)CC4CC4)Br)OC

DOS

IR

Vibrations