Geometry & MOs

Info

ID:	289136
PubChem CID:	104337341
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	306.113506
ΔH_f, kcal/mol:	19.86
Dipole, Da:	2.65
IP(EA), eV:	-10.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(2-propan-2-yloxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations