Geometry & MOs

Info

ID:	289101
PubChem CID:	104335796
Reduced:	BrClON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	300.135304
ΔH_f, kcal/mol:	16.79
Dipole, Da:	3.15
IP(EA), eV:	-9.37(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Br)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations