Geometry & MOs

Info

ID:	289292
PubChem CID:	104344059
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	3.13
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chlorophenoxy)-2-(ethoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)OC2=CC(=CC(=C2)C)C)NC

DOS

IR

Vibrations