Geometry & MOs

Info

ID:	373286
PubChem CID:	131312689
Reduced:	BrN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	206.121927
ΔH_f, kcal/mol:	67.23
Dipole, Da:	3.84
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(5-fluoro-1H-indol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)NC(=C2)[C@@H](CC#N)N

DOS

IR

Vibrations