Geometry & MOs

Info

ID:	49751
PubChem CID:	11533727
Reduced:	ClF3N8C24H28 (1)
Stoich.:	AB3C8D24E28 (1)
Weight, g/mol:	520.205275
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	7.64
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-[2-[4-[fluoro-(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]urea

Drug info:

PubChemData

Smile

CCN(C1=NC(=NC(=N1)N2CCN(CC2)C3=C(C=CC=N3)Cl)NC4=CC=C(C=C4)C(F)(F)F)C(C)C

DOS

IR

Vibrations