Geometry & MOs

Info

ID:	439292
PubChem CID:	135229060
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	1.59
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-ethylphenyl)propoxy]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=C(C=NC(=NC1)N)OCC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations