Geometry & MOs

Info

ID:	144140
PubChem CID:	53319634
Reduced:	O4C23H28 (1)
Stoich.:	A4B23C28 (1)
Weight, g/mol:	539.160328
ΔH_f, kcal/mol:	-164.94
Dipole, Da:	2.28
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCCCCCC2=C(C(=CC(=C2)OCC3=CC=CC=C3)O)C(=O)O1

DOS

IR

Vibrations