Geometry & MOs

Info

ID:	203152
PubChem CID:	79785494
Reduced:	ION3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	282.093918
ΔH_f, kcal/mol:	31.33
Dipole, Da:	3.25
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2C(=O)CCC3=C2C=CC(=C3)I

DOS

IR

Vibrations