Geometry & MOs

Info

ID:	211455
PubChem CID:	80953098
Reduced:	ClON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	305.096476
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	4.17
IP(EA), eV:	-9.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)NCCC2CCCO2

DOS

IR

Vibrations