Geometry & MOs

Info

ID:	212692
PubChem CID:	81061532
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	2.14
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-5-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=C(C=NC=C1)C#CCO

DOS

IR

Vibrations