Geometry & MOs

Info

ID:	211463
PubChem CID:	80953298
Reduced:	ClSN4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	289.134575
ΔH_f, kcal/mol:	36.48
Dipole, Da:	6.24
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-propan-2-yl-N-(2-propylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNC2=CC(=NC(=N2)C(C)(C)C)Cl

DOS

IR

Vibrations