Geometry & MOs

Info

ID:	189947
PubChem CID:	77930533
Reduced:	FO7C24H31 (1)
Stoich.:	AB7C24D31 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-340.04
Dipole, Da:	5.27
IP(EA), eV:	-9.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-5,7,8,8a-tetrahydro-1H-imidazo[1,2-b]pyridazin-6-ylidene)-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C(C=CC2=C1OC(=C2)C(=O)C(CCC3C(C(CC3=O)O)CCCCCCC(=O)O)O)F

DOS

IR

Vibrations