Geometry & MOs

Info

ID:	136058
PubChem CID:	51972089
Reduced:	BrON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	413.150132
ΔH_f, kcal/mol:	86.45
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[[2-(6-phenylmethoxyindol-1-yl)acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC2=C([C@@H](N3C(=N2)C(=CN3)C#N)C4=CC=C(C=C4)Br)C(=O)C1

DOS

IR

Vibrations