Geometry & MOs

Info

ID:	124980
PubChem CID:	50906206
Reduced:	ClN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	441.041375
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	3.2
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S)-2-(3,5-dichlorophenyl)-6-methoxy-4a-pyridin-4-yl-1,4,6,7-tetrahydropyrano[3,2-c]pyridazin-3-one;hydrochloride

Drug info:

PubChemData

Smile

CO[C@@H]1CC=C2[C@@](O1)(CC(=O)N(N2)C3=CC(=CC(=C3)OC)OC)C4=CC=CC=C4.Cl

DOS

IR

Vibrations