Geometry & MOs

Info

ID:	210225
PubChem CID:	80776705
Reduced:	O3N5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	0.99
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)N2CCCCC2CO)[N+](=O)[O-]

DOS

IR

Vibrations