Geometry & MOs

Info

ID:	292341
PubChem CID:	114917192
Reduced:	OCl2N2H8C14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	309.991197
ΔH_f, kcal/mol:	61.91
Dipole, Da:	3.26
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2,5-dichloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations