Geometry & MOs

Info

ID:	371752
PubChem CID:	131271479
Reduced:	N2O5H6C9 (1)
Stoich.:	A2B5C6D9 (1)
Weight, g/mol:	204.069891
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	3.85
IP(EA), eV:	-11.36(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-fluoro-1H-indol-3-yl)-3-hydroxypropanenitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CO)[N+](=O)[O-])C(=O)O)C#N

DOS

IR

Vibrations