Geometry & MOs

Info

ID:	350277
PubChem CID:	127277355
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-197.02
Dipole, Da:	4.61
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NC2=C(C=CC(=C2)N3CCCS3(=O)=O)O

DOS

IR

Vibrations