Geometry & MOs

Info

ID:	275796
PubChem CID:	103817831
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	296.9823
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	6.58
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CNC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations