Geometry & MOs

Info

ID:	240957
PubChem CID:	93618417
Reduced:	BrON5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	323.184506
ΔH_f, kcal/mol:	49.64
Dipole, Da:	2.86
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)Br)NC(=O)CN2C=NN=N2

DOS

IR

Vibrations