Geometry & MOs

Info

ID:	328290
PubChem CID:	126700566
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	513.27399
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	2.02
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1=NC2=C(O1)C=CC(=C2)Br

DOS

IR

Vibrations