Geometry & MOs

Info

ID:	175769
PubChem CID:	75944918
Reduced:	N4O5H22C23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	9.07
IP(EA), eV:	-8.25(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)CC(COC3=CC=C(C=C3)NC(=O)C)O)C4=CC=CC=C4

DOS

IR

Vibrations