Geometry & MOs

Info

ID:	156089
PubChem CID:	56369095
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	438.03458
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	5.2
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[3-(oxan-2-ylmethoxymethyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations