Geometry & MOs

Info

ID:	73768
PubChem CID:	48420385
Reduced:	BrN4O4C15H15 (1)
Stoich.:	AB4C4D15E15 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	5.54
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-(4-methoxyanilino)benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)OCCN2C=NC=N2

DOS

IR

Vibrations