Geometry & MOs

Info

ID:	1651
PubChem CID:	4824
Reduced:	ClOF2N3C28H28 (1)
Stoich.:	ABC2D3E28F28 (1)
Weight, g/mol:	495.188897
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	5.18
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations