Geometry & MOs

Info

ID:	68016
PubChem CID:	46507606
Reduced:	ClN2O5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	417.03242
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	6.61
IP(EA), eV:	-8.7(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-nitroso-7H-pyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O/N=C\1/C(=CC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations