Geometry & MOs

Info

ID:	289224
PubChem CID:	104341009
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	5.51
IP(EA), eV:	-8.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-(4-methoxybutyl)-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NCCCS(=O)(=O)C

DOS

IR

Vibrations