Geometry & MOs

Info

ID:	250189
PubChem CID:	103094739
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	6.68
IP(EA), eV:	-8.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-4,5,6,7-tetrahydroindol-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=N1)C)C2=C(C=CC=N2)Cl)N

DOS

IR

Vibrations