Geometry & MOs

Info

ID:	179150
PubChem CID:	76442238
Reduced:	O4C8H9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	-315.21
Dipole, Da:	8.01
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2H-pyrido[2,3-d]pyridazin-8-one

Drug info:

PubChemData

Smile

CC1(C(C(C(C(C1O)O)OC2=CC3=C(C=C2)C=CC(=O)O3)O)O)O

DOS

IR

Vibrations