Geometry & MOs

Info

ID:	270226
PubChem CID:	103635506
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	269.104338
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	4.85
IP(EA), eV:	-9.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations