Geometry & MOs

Info

ID:	125975
PubChem CID:	50946392
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	383.186987
ΔH_f, kcal/mol:	-161.63
Dipole, Da:	3.74
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-fluoro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations