Geometry & MOs

Info

ID:	418441
PubChem CID:	135104785
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	49.26
Dipole, Da:	5.54
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CC5=NC(=NO5)C(=O)N

DOS

IR

Vibrations