Geometry & MOs

Info

ID:	280918
PubChem CID:	103851944
Reduced:	OF2N2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	3.57
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-cyanophenyl)methylamino]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations