Geometry & MOs

Info

ID:	187278
PubChem CID:	77553933
Reduced:	NO3C17H21 (2)
Stoich.:	AB3C17D21 (2)
Weight, g/mol:	527.306039
ΔH_f, kcal/mol:	-200.81
Dipole, Da:	3.39
IP(EA), eV:	-8.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(piperidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCCCOC(=O)N(C1=C(C=CC(=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COC(C)C4CCCN4)C(=O)C

DOS

IR

Vibrations