Geometry & MOs

Info

ID:	447872
PubChem CID:	135286472
Reduced:	FN9H24C27 (1)
Stoich.:	AB9C24D27 (1)
Weight, g/mol:	392.153164
ΔH_f, kcal/mol:	173.9
Dipole, Da:	8.07
IP(EA), eV:	-8.45(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CN=C6)/C=C32)F

DOS

IR

Vibrations