Geometry & MOs

Info

ID:	196565
PubChem CID:	78848824
Reduced:	OS2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	39.78
Dipole, Da:	2.06
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-ynyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)SC)N2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations