Geometry & MOs

Info

ID:	439253
PubChem CID:	135229020
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	507.165502
ΔH_f, kcal/mol:	-25.5
Dipole, Da:	3.49
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CO)NC1=NC(=NC=C1OCC2=NC(=CC=C2)C(=C)N)C

DOS

IR

Vibrations