Geometry & MOs

Info

ID:	289130
PubChem CID:	104337182
Reduced:	ClOS2N4H7C8 (1)
Stoich.:	ABC2D4E7F8 (1)
Weight, g/mol:	312.043233
ΔH_f, kcal/mol:	60.23
Dipole, Da:	2.26
IP(EA), eV:	-9.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(5-chloro-2-methoxyphenyl)-2-(ethoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)Cl)SC2=NC=NS2

DOS

IR

Vibrations