Geometry & MOs

Info

ID:	354283
PubChem CID:	127286247
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	4.08
IP(EA), eV:	-8.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations