Geometry & MOs

Info

ID:	248559
PubChem CID:	103082588
Reduced:	BrNSF2O2C9H10 (1)
Stoich.:	ABCD2E2F9G10 (1)
Weight, g/mol:	335.03325
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	0.77
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine

Drug info:

PubChemData

Smile

C1=C(SC=C1C(=O)NCCOCC(F)F)Br

DOS

IR

Vibrations