Geometry & MOs

Info

ID:	321484
PubChem CID:	126666162
Reduced:	O5N6C12H18 (1)
Stoich.:	A5B6C12D18 (1)
Weight, g/mol:	405.099252
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	6.38
IP(EA), eV:	-10.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN=NN1CC(=O)N[C@H]2CCN(C2)C(=O)O

DOS

IR

Vibrations