Geometry & MOs

Info

ID:	155445
PubChem CID:	56365491
Reduced:	ClN2O2F3C25H26 (1)
Stoich.:	AB2C2D3E25F26 (1)
Weight, g/mol:	440.246378
ΔH_f, kcal/mol:	-205.04
Dipole, Da:	3.57
IP(EA), eV:	-9.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(4-phenylphenyl)-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations