Geometry & MOs

Info

ID:	175905
PubChem CID:	75967278
Reduced:	SN2O4H32C33 (1)
Stoich.:	AB2C4D32E33 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-40.48
Dipole, Da:	3.33
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-(3-aminopyrrolidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

Drug info:

PubChemData

Smile

CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O

DOS

IR

Vibrations