Geometry & MOs

Info

ID:	326805
PubChem CID:	126688233
Reduced:	SBr2N4O5C26H26 (1)
Stoich.:	AB2C4D5E26F26 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	4.99
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenoxy)-1-(oxan-2-ylmethyl)azetidine

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@H]2C3C4CCC5=C(C4CC[C@@]3(C6=NOC=C26)C)C(=C(C(=C5Br)O)Br)[N+](=O)[O-]

DOS

IR

Vibrations