Geometry & MOs

Info

ID:	84279
PubChem CID:	49865217
Reduced:	FSO3N5C29H32 (1)
Stoich.:	ABC3D5E29F32 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	7.32
IP(EA), eV:	-7.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-(2-pyridin-4-ylethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(C1=CC(=CN2C1=N/C(=C\3/NC=C(S3)CC4=CC=C(C=C4)F)/C(=O)C2=O)N5CCOCC5)N6CCCCC6

DOS

IR

Vibrations