Geometry & MOs

Info

ID:	131911
PubChem CID:	51278248
Reduced:	ClN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	321.051634
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	6.66
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations