Geometry & MOs

Info

ID:	325743
PubChem CID:	126684730
Reduced:	NSF3O7C23H26 (1)
Stoich.:	ABC3D7E23F26 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-416.02
Dipole, Da:	9.94
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-aminobutyl)-1-benzofuran-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)CC2=CC=C(S2)OCC(F)(F)F)O

DOS

IR

Vibrations