Geometry & MOs

Info

ID:	374716
PubChem CID:	131342535
Reduced:	FNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-161.58
Dipole, Da:	1.62
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(7-methyl-1H-indol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C(=CC(=C1)O)F)N

DOS

IR

Vibrations