Geometry & MOs

Info

ID:	297816
PubChem CID:	117632846
Reduced:	NOF2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	293.121592
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	5.82
IP(EA), eV:	-9.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3-fluorophenyl)ethynyl]phenyl]-(3-methylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations