Geometry & MOs

Info

ID:	202653
PubChem CID:	79705832
Reduced:	FN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	4.7
Dipole, Da:	3.01
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(butan-2-yloxymethyl)-5-fluorophenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CC(C2=NC=C(C=C2)F)NC(C)C

DOS

IR

Vibrations