Geometry & MOs

Info

ID:	314800
PubChem CID:	126623273
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	410.09535
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	3.23
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 5-(aminomethyl)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](NC1)C(=O)NC2=C(C=CC(=N2)Br)C

DOS

IR

Vibrations