Geometry & MOs

Info

ID:	286650
PubChem CID:	104179604
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	245.157978
ΔH_f, kcal/mol:	57.3
Dipole, Da:	0.86
IP(EA), eV:	-8.96(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-N-hex-5-yn-3-ylcyclobutan-1-amine

Drug info:

PubChemData

Smile

CCC(CC#C)NC1CC(C1)C2=CC=CC=C2C

DOS

IR

Vibrations