Geometry & MOs

Info

ID:	439310
PubChem CID:	135229080
Reduced:	O4N7H29C31 (1)
Stoich.:	A4B7C29D31 (1)
Weight, g/mol:	487.221954
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	2.7
IP(EA), eV:	-8.93(-1.14)
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-morpholin-4-ylethoxy)naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCCCC1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=C5C(=NC=C4)NC(=O)N5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations