Geometry & MOs

Info

ID:	156129
PubChem CID:	56369237
Reduced:	INO5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	368.98797
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	5.15
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(2-ethoxypyridin-4-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2I)OC)OC)O

DOS

IR

Vibrations