Geometry & MOs

Info

ID:	286648
PubChem CID:	104179602
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	245.157978
ΔH_f, kcal/mol:	54.63
Dipole, Da:	2.58
IP(EA), eV:	-8.92(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-hex-5-yn-3-ylcyclobutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations