Geometry & MOs

Info

ID:	375340
PubChem CID:	131500012
Reduced:	ClFNSO2H5C9 (1)
Stoich.:	ABCDE2F5G9 (1)
Weight, g/mol:	183.083019
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	3.44
IP(EA), eV:	-9.48(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=C(C=C1F)CCl)[N+](=O)[O-]

DOS

IR

Vibrations