Geometry & MOs

Info

ID:	289630
PubChem CID:	104361724
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	302.070972
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	5.46
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1CC2=CC(=CC3=C2OCC3)Br)C(=O)O

DOS

IR

Vibrations