Geometry & MOs

Info

ID:	273029
PubChem CID:	103770351
Reduced:	BrF2N2O2C8H9 (1)
Stoich.:	AB2C2D2E8F9 (1)
Weight, g/mol:	287.071762
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	2.85
IP(EA), eV:	-9.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=C(NC=C1Br)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations