Geometry & MOs

Info

ID:	321467
PubChem CID:	126666095
Reduced:	F3O3N4H17C22 (1)
Stoich.:	A3B3C4D17E22 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	5.69
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-7-(2,5-dimethoxyphenyl)-3-propan-2-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=CC=C3)NC(=O)C)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations