Geometry & MOs

Info

ID:	289305
PubChem CID:	104344574
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	2.04
IP(EA), eV:	-8.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromo-3-methylphenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COCC)OCC2CCCC2

DOS

IR

Vibrations