Geometry & MOs

Info

ID:	68869
PubChem CID:	46510177
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	450.07903
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	3.11
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations