Geometry & MOs

Info

ID:	73792
PubChem CID:	48420439
Reduced:	F2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-158.73
Dipole, Da:	5.61
IP(EA), eV:	-10.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[4-(cyanomethyl)phenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCCN1C=NC=N1)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations