Geometry & MOs

Info

ID:	289133
PubChem CID:	104337263
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	266.093439
ΔH_f, kcal/mol:	0.23
Dipole, Da:	1.91
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(2-ethylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations