Geometry & MOs

Info

ID:	125954
PubChem CID:	50945354
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	422.188881
ΔH_f, kcal/mol:	18.47
Dipole, Da:	3.13
IP(EA), eV:	-8.35(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C)N2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations