Geometry & MOs

Info

ID:	241092
PubChem CID:	93621777
Reduced:	OSN7C12H15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	60.24
Dipole, Da:	6.17
IP(EA), eV:	-8.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC=CC=N2)NC(=O)NC3=NN=CS3

DOS

IR

Vibrations