Geometry & MOs

Info

ID:	163398
PubChem CID:	57931366
Reduced:	ON3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	492.14238
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	3.51
IP(EA), eV:	-9.58(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]phenyl] acetate

Drug info:

PubChemData

Smile

C1C2C(CN1)NC(=O)N2

DOS

IR

Vibrations