Geometry & MOs

Info

ID:	273094
PubChem CID:	103770484
Reduced:	F2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	346.99686
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	5.13
IP(EA), eV:	-10.34(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations