Geometry & MOs

Info

ID:	296238
PubChem CID:	117562175
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	329.05276
ΔH_f, kcal/mol:	-27.91
Dipole, Da:	8.07
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=C(C3=CC=CC=C3N2)C(=O)O

DOS

IR

Vibrations