Geometry & MOs

Info

ID:	303949
PubChem CID:	124490961
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	258.169191
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	1.54
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-3-(azidomethyl)-3-hydroxypentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)[C@H](CN=[N+]=[N-])O

DOS

IR

Vibrations