Geometry & MOs

Info

ID:	218771
PubChem CID:	85089949
Reduced:	NO2C9H15 (3)
Stoich.:	AB2C9D15 (3)
Weight, g/mol:	507.316871
ΔH_f, kcal/mol:	-290.71
Dipole, Da:	5.81
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-cyclohexylaziridin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC=C)NC(=O)C=CC(=O)N2CCOCC2)O)O

DOS

IR

Vibrations