Geometry & MOs

Info

ID:	312070
PubChem CID:	126602361
Reduced:	O3F5N5H22C29 (1)
Stoich.:	A3B5C5D22E29 (1)
Weight, g/mol:	489.03066
ΔH_f, kcal/mol:	-235.39
Dipole, Da:	7.57
IP(EA), eV:	-9.02(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-bromo-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=NC=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C(F)(F)F)(F)F

DOS

IR

Vibrations