Geometry & MOs

Info

ID:	155960
PubChem CID:	56368489
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	423.03492
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	2.89
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)NC(=O)C2=NN(C(C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations