Geometry & MOs

Info

ID:	279553
PubChem CID:	103844307
Reduced:	ClN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-120.93
Dipole, Da:	5.26
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=O)C(=C(C=N1)NC2CCC(CC2)O)Cl

DOS

IR

Vibrations