Geometry & MOs

Info

ID:	138063
PubChem CID:	52305342
Reduced:	NO2F3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	413.155098
ΔH_f, kcal/mol:	-185.75
Dipole, Da:	4.86
IP(EA), eV:	-9.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)N(C)C(=O)CCC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations