Geometry & MOs

Info

ID:	387324
PubChem CID:	134984935
Reduced:	BrN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	381.262757
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	3.03
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3R,4R)-3-(2-azidopropan-2-yl)-4-hexylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)C(=O)OCC)NN=NCCBr

DOS

IR

Vibrations