Geometry & MOs

Info

ID:	439306
PubChem CID:	135229076
Reduced:	PSO5N6C13H21 (1)
Stoich.:	ABC5D6E13F21 (1)
Weight, g/mol:	577.243753
ΔH_f, kcal/mol:	-225.79
Dipole, Da:	2.98
IP(EA), eV:	-8.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)N)OC)OP(=S)(O)OC

DOS

IR

Vibrations