Geometry & MOs

Info

ID:	137777
PubChem CID:	52259545
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	366.065031
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	5.04
IP(EA), eV:	-8.4(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(=O)N2CCCC3=C2C=CC(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations