Geometry & MOs

Info

ID:	18926
PubChem CID:	551034
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	310.00654
ΔH_f, kcal/mol:	33.17
Dipole, Da:	5.87
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenol

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=NN2C=NN=C2)Br)O

DOS

IR

Vibrations