Geometry & MOs

Info

ID:	126206
PubChem CID:	50955592
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	366.162666
ΔH_f, kcal/mol:	12.88
Dipole, Da:	3.21
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-[4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CCN2CCCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations