Geometry & MOs

Info

ID:	266777
PubChem CID:	103579384
Reduced:	FNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	2.77
IP(EA), eV:	-9.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-N-pent-1-yn-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C=C1)F)C

DOS

IR

Vibrations