Geometry & MOs

Info

ID:	51117
PubChem CID:	12013741
Reduced:	NO6C13H21 (1)
Stoich.:	AB6C13D21 (1)
Weight, g/mol:	287.136887
ΔH_f, kcal/mol:	-250.04
Dipole, Da:	2.86
IP(EA), eV:	-10.18(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](N1C(=O)OCC)[C@@H]2COC(O2)(C)C

DOS

IR

Vibrations