Geometry & MOs

Info

ID:	413991
PubChem CID:	135086944
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	480.14124
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	8.38
IP(EA), eV:	-8.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-bromo-3-(tert-butyliminomethyl)indol-1-yl]-1-(4-methoxyphenyl)hex-2-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(CN/C=C/1\C=NC2=CC=CC(=C21)C)OCC

DOS

IR

Vibrations