Geometry & MOs

Info

ID:	147440
PubChem CID:	53787096
Reduced:	NC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	20.83
Dipole, Da:	3.12
IP(EA), eV:	-7.85(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexylidene]acetic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C1CC2=C(C=CN2)C3=C1CCC=C3

DOS

IR

Vibrations