Geometry & MOs

Info

ID:	261000
PubChem CID:	103213630
Reduced:	F3N3O3C10H16 (1)
Stoich.:	A3B3C3D10E16 (1)
Weight, g/mol:	265.079346
ΔH_f, kcal/mol:	-251.8
Dipole, Da:	3.04
IP(EA), eV:	-10.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-cyclopropyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1CO)CCOCC(F)(F)F

DOS

IR

Vibrations