Geometry & MOs

Info

ID:	269880
PubChem CID:	103619542
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	2.37
IP(EA), eV:	-9.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butan-2-ylphenoxy)-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=NC=C(C=C2)C(=O)OCC

DOS

IR

Vibrations