Geometry & MOs

Info

ID:	269068
PubChem CID:	103609774
Reduced:	BrSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	310.986446
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	4.31
IP(EA), eV:	-9.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3,6-dichloropyridazine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)CCCCBr)C2=CC=CS2

DOS

IR

Vibrations