Geometry & MOs

Info

ID:	260484
PubChem CID:	103193246
Reduced:	BrNSF3O3C12H15 (1)
Stoich.:	ABCD3E3F12G15 (1)
Weight, g/mol:	366.01907
ΔH_f, kcal/mol:	-275.03
Dipole, Da:	4.75
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-N-[4-bromo-2-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCNC1=C(C=C(C=C1)Br)OC(F)(F)F

DOS

IR

Vibrations