Geometry & MOs

Info

ID:	420369
PubChem CID:	135112762
Reduced:	ClFN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	5.27
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-N-(oxolan-2-ylmethyl)-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations