Geometry & MOs

Info

ID:	289263
PubChem CID:	104342196
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	279.115381
ΔH_f, kcal/mol:	6.72
Dipole, Da:	3.77
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)N2CCC3=CC=CC=C3CC2)N

DOS

IR

Vibrations