Geometry & MOs

Info

ID:	212962
PubChem CID:	81062417
Reduced:	FN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	275.085911
ΔH_f, kcal/mol:	-67.66
Dipole, Da:	7.34
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-2-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=C(C(=CC=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations