Geometry & MOs

Info

ID:	156497
PubChem CID:	56370862
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	441.14272
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	5.79
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations