Geometry & MOs

Info

ID:	200912
PubChem CID:	79460610
Reduced:	BrNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	367.04509
ΔH_f, kcal/mol:	21.09
Dipole, Da:	3.91
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-bromophenyl)azetidin-3-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)CC3(CNC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations