Geometry & MOs

Info

ID:	318950
PubChem CID:	126653840
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	-150.5
Dipole, Da:	1.13
IP(EA), eV:	-9.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R)-N-(6-bromopyridin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations