Geometry & MOs

Info

ID:	439341
PubChem CID:	135229112
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	3.77
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC=NC=C1OCC2=NC(=CC=C2)C(=C)N

DOS

IR

Vibrations