Geometry & MOs

Info

ID:	124979
PubChem CID:	50905998
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	432.1452
ΔH_f, kcal/mol:	-17.03
Dipole, Da:	5.83
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S)-2-(3,5-dimethoxyphenyl)-6-methoxy-4a-phenyl-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=CN=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations