Geometry & MOs

Info

ID:	410998
PubChem CID:	135083803
Reduced:	OCl2F3H5C10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	4.24
IP(EA), eV:	-10.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylaziridin-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(=C(C(F)(F)F)Cl)Cl

DOS

IR

Vibrations