Geometry & MOs

Info

ID:	156979
PubChem CID:	56404330
Reduced:	BrFNO3C16H19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	393.186398
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	5.32
IP(EA), eV:	-9.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2OCCO2)C(=O)CC3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations