Geometry & MOs

Info

ID:	423711
PubChem CID:	135120059
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	321.104418
ΔH_f, kcal/mol:	57.69
Dipole, Da:	4.28
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluoro-3-methylphenyl)-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)C5=CC=CN5C6CC6

DOS

IR

Vibrations