Geometry & MOs

Info

ID:	420923
PubChem CID:	135115046
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	262.098524
ΔH_f, kcal/mol:	-197.03
Dipole, Da:	7.34
IP(EA), eV:	-9.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-(3-pyridin-2-ylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C)C(=O)O

DOS

IR

Vibrations