Geometry & MOs

Info

ID:	257501
PubChem CID:	103146631
Reduced:	BrF2N2O2C12H17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	369.99898
ΔH_f, kcal/mol:	-176.25
Dipole, Da:	7.99
IP(EA), eV:	-9.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=O)N=C(N1)CCOCC(F)F)Br

DOS

IR

Vibrations