Geometry & MOs

Info

ID:	326130
PubChem CID:	126686645
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	262.052048
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	9.52
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CC(=C(C=C2)CN3CC4=C(C3=O)C(=NC=C4)OCC(C)(F)F)F)C

DOS

IR

Vibrations