Geometry & MOs

Info

ID:	289089
PubChem CID:	104335384
Reduced:	ClION3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	327.054132
ΔH_f, kcal/mol:	26.78
Dipole, Da:	2.36
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-chloro-4-methoxyphenyl)-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)I

DOS

IR

Vibrations