Geometry & MOs

Info

ID:	196568
PubChem CID:	78848853
Reduced:	OS2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	434.188881
ΔH_f, kcal/mol:	47.41
Dipole, Da:	3.72
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCSC2=CC=CC=C21)N3CCN(CC3)C4=C5C=CSC5=NC=N4

DOS

IR

Vibrations