Geometry & MOs

Info

ID:	210050
PubChem CID:	80753685
Reduced:	ON5C14H27 (1)
Stoich.:	AB5C14D27 (1)
Weight, g/mol:	232.143645
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	1.46
IP(EA), eV:	-8.97(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-imidazol-1-ylpropyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=NC(=NC(=N1)N)OCCC

DOS

IR

Vibrations