Geometry & MOs

Info

ID:	167517
PubChem CID:	74841316
Reduced:	ClF3N3O3C32H33 (1)
Stoich.:	AB3C3D3E32F33 (1)
Weight, g/mol:	579.270877
ΔH_f, kcal/mol:	-222.86
Dipole, Da:	6.88
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-phenylprop-2-enyl)-1-[[1-(2-phenylmethoxyacetyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN(CC2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations