Geometry & MOs

Info

ID:	210748
PubChem CID:	80851791
Reduced:	O2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	2.86
IP(EA), eV:	-9.32(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NC(=NC(=N1)NCC)OC

DOS

IR

Vibrations