Geometry & MOs

Info

ID:	322736
PubChem CID:	126670936
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	6.03
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](N([C@@H]1C#C2)C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations