Geometry & MOs

Info

ID:	260922
PubChem CID:	103209574
Reduced:	O2F3N3C12H20 (1)
Stoich.:	A2B3C3D12E20 (1)
Weight, g/mol:	405.01049
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	1.13
IP(EA), eV:	-9.08(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2CNC2)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations