Geometry & MOs

Info

ID:	401570
PubChem CID:	135051668
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	253.9846
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	3.07
IP(EA), eV:	-9.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzoselenophen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C=CCN(C1=CC=CC(=C1)C(F)(F)F)O

DOS

IR

Vibrations