Geometry & MOs

Info

ID:	449147
PubChem CID:	135296357
Reduced:	NO3C12H20 (2)
Stoich.:	AB3C12D20 (2)
Weight, g/mol:	785.303177
ΔH_f, kcal/mol:	-185.01
Dipole, Da:	7.87
IP(EA), eV:	-9.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[6-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]pyridin-3-yl]oxy-2-(oxan-2-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CCCOCCCCOCCC2=CC(=NO2)CCCCOCCCOC

DOS

IR

Vibrations