Geometry & MOs

Info

ID:	216956
PubChem CID:	85087032
Reduced:	BrO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	319.118399
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	6.05
IP(EA), eV:	-9.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-3-phenyl-2-(2,2,2-trifluoroethyl)aziridin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1C(=O)C(CC(C12OCC(CO2)(C)C)(C)C)Br

DOS

IR

Vibrations