Geometry & MOs

Info

ID:	439284
PubChem CID:	135229051
Reduced:	ClFNO2C21H23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	493.149852
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	2.67
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-3-(5-oxo-2-phenyl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)C)/C=C\C(=C)OCC2=CC(=C(C=C2)F)Cl)C(C)(C)O

DOS

IR

Vibrations