Geometry & MOs

Info

ID:	148514
PubChem CID:	53788177
Reduced:	S2O4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-226.46
Dipole, Da:	7.78
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)CC[C@H]1C(CC(=O)C1SCCCSCC(=O)O)O

DOS

IR

Vibrations