Geometry & MOs

Info

ID:	204354
PubChem CID:	79953264
Reduced:	ON2F3C7H7 (1)
Stoich.:	AB2C3D7E7 (1)
Weight, g/mol:	297.99286
ΔH_f, kcal/mol:	-190.93
Dipole, Da:	4.22
IP(EA), eV:	-10.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-ethyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN=C(NC1=O)CCC(F)(F)F

DOS

IR

Vibrations