Geometry & MOs

Info

ID:	126214
PubChem CID:	50955600
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	6.53
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-3-[[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(C=C2)C(=O)NC3=NC=C(C=C3)C#N)C(=O)N

DOS

IR

Vibrations