Geometry & MOs

Info

ID:	289166
PubChem CID:	104338109
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	47.05
Dipole, Da:	6.06
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenyl)-2-(ethoxymethyl)-N-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=C3C=CC=NC3=CC=C2)COC

DOS

IR

Vibrations