Geometry & MOs

Info

ID:	394767
PubChem CID:	135023720
Reduced:	NO4C15H31 (1)
Stoich.:	AB4C15D31 (1)
Weight, g/mol:	304.1075
ΔH_f, kcal/mol:	-209.27
Dipole, Da:	6.69
IP(EA), eV:	-8.8(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenylpropyl)-3-(trifluoromethyl)-1-benzofuran

Drug info:

PubChemData

Smile

CCCN1CC(C([C@@H](C1CO)OCCC)O)OCCC

DOS

IR

Vibrations