Geometry & MOs

Info

ID:	291397
PubChem CID:	112356042
Reduced:	ClFN2O3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-174.89
Dipole, Da:	2.9
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(CN(C)CC(=O)NC1=C(C=CC(=C1)Cl)F)(CO)CO

DOS

IR

Vibrations