Geometry & MOs

Info

ID:	351352
PubChem CID:	127280240
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	392.080681
ΔH_f, kcal/mol:	-39.31
Dipole, Da:	6.8
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichloro-1H-indol-2-yl)-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CC=CC=C3N(C)C(=O)C4CC4

DOS

IR

Vibrations