Geometry & MOs

Info

ID:	415415
PubChem CID:	135088409
Reduced:	O4N8C31H38 (1)
Stoich.:	A4B8C31D38 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	4.88
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)CC4=CN(N=C4)C5=CC=CC=C5OC

DOS

IR

Vibrations