Geometry & MOs

Info

ID:	82566
PubChem CID:	49856186
Reduced:	N2O7C24H26 (1)
Stoich.:	A2B7C24D26 (1)
Weight, g/mol:	234.153227
ΔH_f, kcal/mol:	-220.27
Dipole, Da:	4.72
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(C(N(C2=O)CC=C)C3=CC=CC=C3NC(=O)OC)C(=O)OC)OC

DOS

IR

Vibrations