Geometry & MOs

Info

ID:	344308
PubChem CID:	127267484
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	38.21
Dipole, Da:	3.92
IP(EA), eV:	-9.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-bromophenyl)methyl]azetidin-1-yl]-(5-fluoropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CC(C2)CC3=CC(=CC=C3)Br

DOS

IR

Vibrations