Geometry & MOs

Info

ID:	155944
PubChem CID:	56368419
Reduced:	F3N3O3C23H26 (1)
Stoich.:	A3B3C3D23E26 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-249.51
Dipole, Da:	1.41
IP(EA), eV:	-9.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-ethylbutanoyl)piperidin-4-yl]-1-methyl-1-[(2-phenylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations