Geometry & MOs

Info

ID:	399983
PubChem CID:	135044356
Reduced:	N2O3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	251.03096
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	1.89
IP(EA), eV:	-9.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-butyl-1H-indole

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OC(=C2C#N)N3CC3

DOS

IR

Vibrations