Geometry & MOs

Info

ID:	151680
PubChem CID:	56261104
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	390.099791
ΔH_f, kcal/mol:	-31.93
Dipole, Da:	6.7
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(5-nitro-2-oxopyridin-1-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)C2=CC=CC=C2OCC3=CC(=CC=C3)Br

DOS

IR

Vibrations