Geometry & MOs

Info

ID:	251446
PubChem CID:	103104014
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	4.16
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCOC1=CC=CC(=C1)C#CCN)CC(=O)N

DOS

IR

Vibrations