Geometry & MOs

Info

ID:	199518
PubChem CID:	79259352
Reduced:	FNCl2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	3.71
IP(EA), eV:	-9.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(CCl)NCC1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations