Geometry & MOs

Info

ID:	387161
PubChem CID:	134984239
Reduced:	ON2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	399.214904
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	5.84
IP(EA), eV:	-10.14(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2R,3S)-2-butyl-3-(4-chlorophenyl)-1-phenylaziridin-2-yl]-dimethylsilane

Drug info:

PubChemData

Smile

CC1(CCN1C(=O)C#N)C

DOS

IR

Vibrations