Geometry & MOs

Info

ID:	122518
PubChem CID:	50810185
Reduced:	ClN3O3H16C22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	325.01744
ΔH_f, kcal/mol:	9.49
Dipole, Da:	9.86
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-methoxyethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=CC(=CC=C3)Cl)C(=O)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations