Geometry & MOs

Info

ID:	176688
PubChem CID:	76082807
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	2.1
IP(EA), eV:	-9.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-butanoyl-2-butyl-7-oxo-7aH-imidazo[4,5-d]pyridazin-1-yl)methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C(=O)OC(C2=CC=CC=C2)C(C(=O)O)N)N)O

DOS

IR

Vibrations