Geometry & MOs

Info

ID:	298565
PubChem CID:	117651129
Reduced:	NCl2O3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	8.02
IP(EA), eV:	-10.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-3-azido-4-prop-2-ynoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations