Geometry & MOs

Info

ID:	426555
PubChem CID:	135147470
Reduced:	PSN6O6C22H37 (1)
Stoich.:	ABC6D6E22F37 (1)
Weight, g/mol:	340.00342
ΔH_f, kcal/mol:	-295.0
Dipole, Da:	2.35
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-(bromomethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCSC(=O)C(C)(C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OCCC(=O)OC(C)C

DOS

IR

Vibrations