Geometry & MOs

Info

ID:	245326
PubChem CID:	99443298
Reduced:	BrO4N6C20H21 (1)
Stoich.:	AB4C6D20E21 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	4.37
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NNC(=O)[C@H](C)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations