Geometry & MOs

Info

ID:	374035
PubChem CID:	131322711
Reduced:	INF2O2H6C10 (1)
Stoich.:	ABC2D2E6F10 (1)
Weight, g/mol:	173.058912
ΔH_f, kcal/mol:	-110.31
Dipole, Da:	4.13
IP(EA), eV:	-10.35(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-hydroxy-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1I)C(F)F)C#N

DOS

IR

Vibrations