Geometry & MOs

Info

ID:	375023
PubChem CID:	131465228
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	4.61
IP(EA), eV:	-8.86(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydrofuran-5-yl)-1-(3-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(O2)CC(CN)C#N

DOS

IR

Vibrations