Geometry & MOs

Info

ID:	291736
PubChem CID:	113461720
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	2.2
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(methoxymethyl)furan-2-yl]-2,2-dimethyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

COCC1=CC=C(O1)C(C2=CC(=CC(=C2)F)F)N

DOS

IR

Vibrations