Geometry & MOs

Info

ID:	127269
PubChem CID:	50996715
Reduced:	BrO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	432.0797
ΔH_f, kcal/mol:	22.87
Dipole, Da:	5.91
IP(EA), eV:	-9.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C=C1)OC2=C(C3=C(C=C2)N(N=N3)CC4CC4)Br

DOS

IR

Vibrations