Geometry & MOs

Info

ID:	289251
PubChem CID:	104341764
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	291.180758
ΔH_f, kcal/mol:	13.68
Dipole, Da:	4.13
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-2-(methoxymethyl)-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NCCC2=NC=CS2)NC

DOS

IR

Vibrations