Geometry & MOs

Info

ID:	285465
PubChem CID:	104107235
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	3.75
IP(EA), eV:	-9.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NC(=O)C1=CC(=CC=C1)I

DOS

IR

Vibrations