Geometry & MOs

Info

ID:	196573
PubChem CID:	78848858
Reduced:	FOSN6C22H23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	434.188881
ΔH_f, kcal/mol:	25.39
Dipole, Da:	6.03
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC#N)C1=CC=C(C=C1)F)N2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations