Geometry & MOs

Info

ID:	251447
PubChem CID:	103104021
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=C(C=C1)C#CCN)F)CC(=O)N

DOS

IR

Vibrations