Geometry & MOs

Info

ID:	233003
PubChem CID:	87577926
Reduced:	S2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	43.08
Dipole, Da:	6.53
IP(EA), eV:	-8.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)-2-(4-piperidin-1-ylphenyl)-1H-pyridazin-5-one

Drug info:

PubChemData

Smile

CCNC(=S)NC1=NCC2=CC=CC=C2S1

DOS

IR

Vibrations