Geometry & MOs

Info

ID:	49084
PubChem CID:	11528693
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	225.06689
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	2.65
IP(EA), eV:	-9.34(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(C=C)(C(=O)N1CCCCC1)O

DOS

IR

Vibrations