Geometry & MOs

Info

ID:	198394
PubChem CID:	79094753
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	286.111756
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	4.59
IP(EA), eV:	-8.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-ethylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)N2CC(NC(C2)C)C

DOS

IR

Vibrations