Geometry & MOs

Info

ID:	210393
PubChem CID:	80798250
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-11.29
Dipole, Da:	5.32
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)N2CCCC2CC)[N+](=O)[O-]

DOS

IR

Vibrations