Geometry & MOs

Info

ID:	211462
PubChem CID:	80953297
Reduced:	ClFN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	296.086245
ΔH_f, kcal/mol:	-16.84
Dipole, Da:	5.61
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC(C)C2=CC=CC=C2F

DOS

IR

Vibrations