Geometry & MOs

Info

ID:	73767
PubChem CID:	48420383
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	394.02767
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	5.6
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations