Geometry & MOs

Info

ID:	186168
PubChem CID:	77398203
Reduced:	NOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-7.6
Dipole, Da:	9.18
IP(EA), eV:	-9.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-pyrrolo[1,2-b]pyridazin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N=CC1=C(C)C

DOS

IR

Vibrations