Geometry & MOs

Info

ID:	366652
PubChem CID:	127320181
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	5.28
IP(EA), eV:	-8.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations