Geometry & MOs

Info

ID:	321412
PubChem CID:	126665972
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	291.081933
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	4.84
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-difluorophenyl)methyl]-3,7-dimethyl-[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)[C@@H](C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations