Geometry & MOs

Info

ID:	202801
PubChem CID:	79729036
Reduced:	FOBr2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	4.76
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylpyridin-2-yl)-4,5,6,7-tetrahydroindol-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations