Geometry & MOs

Info

ID:	391766
PubChem CID:	135009328
Reduced:	Br2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	4.39
IP(EA), eV:	-9.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-azidopropan-2-yl]-N-prop-2-ynylcarbamate

Drug info:

PubChemData

Smile

C1C=CCC2C1[C@@H]3C(=C(C(=O)[C@H]2O3)Br)Br

DOS

IR

Vibrations