Geometry & MOs

Info

ID:	430317
PubChem CID:	135170381
Reduced:	NO2C10H21 (2)
Stoich.:	AB2C10D21 (2)
Weight, g/mol:	383.04807
ΔH_f, kcal/mol:	-238.96
Dipole, Da:	3.67
IP(EA), eV:	-9.32(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2R,5R)-2-[(6-bromopyridin-2-yl)carbamoyl]-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCCNCCN(CCO)CCO

DOS

IR

Vibrations