Geometry & MOs

Info

ID:	371653
PubChem CID:	131269866
Reduced:	N2F3H3O3C8 (1)
Stoich.:	A2B3C3D3E8 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	6.64
IP(EA), eV:	-10.33(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-methyl-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(NC(=C(C1=O)C#N)OC(F)(F)F)C=O

DOS

IR

Vibrations