Geometry & MOs

Info

ID:	210961
PubChem CID:	80877125
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	25.46
Dipole, Da:	6.42
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[3-(methoxymethyl)phenoxy]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=NC(=NC(=C2C)N)C)C)C#N

DOS

IR

Vibrations