Geometry & MOs

Info

ID:	200895
PubChem CID:	79459735
Reduced:	BrClFNH14C16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	273.164126
ΔH_f, kcal/mol:	3.85
Dipole, Da:	3.38
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

C1C(CN1)(CC2=C(C=C(C=C2)F)Br)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations