Geometry & MOs

Info

ID:	188802
PubChem CID:	77769770
Reduced:	N3O7C28H33 (1)
Stoich.:	A3B7C28D33 (1)
Weight, g/mol:	325.077516
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	5.71
IP(EA), eV:	-9.64(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC2=NC(C(=O)N=C2C=C1)C3=CC(=C(C(=C3)[N+](=O)[O-])CCCCCCC(=O)O)CCCCCCC(=O)O

DOS

IR

Vibrations