Geometry & MOs

Info

ID:	439373
PubChem CID:	135229146
Reduced:	ClN2S2O6C21H39 (1)
Stoich.:	AB2C2D6E21F39 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-224.23
Dipole, Da:	8.29
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,4-dimethoxypyridin-2-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCOCCOCCOCCOCCOCCOCC1=CN=C(N=C1)SCS(C)(C)Cl

DOS

IR

Vibrations