Geometry & MOs

Info

ID:	279558
PubChem CID:	103844324
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	2.29
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(6-ethylpyrimidin-4-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=CNC1=O)CO

DOS

IR

Vibrations