Geometry & MOs

Info

ID:	346457
PubChem CID:	127270961
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	4.52
IP(EA), eV:	-8.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations