Geometry & MOs

Info

ID:	127258
PubChem CID:	50996543
Reduced:	BrO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	411.04432
ΔH_f, kcal/mol:	53.85
Dipole, Da:	6.28
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(cyclopropylmethyl)-5-(6-imidazol-1-ylpyrimidin-4-yl)oxybenzotriazole

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C(=C(C=C3)OC4=C(N=CC=C4)CO)Br)N=N2

DOS

IR

Vibrations