Geometry & MOs

Info

ID:	50239
PubChem CID:	12012754
Reduced:	BrO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-130.12
Dipole, Da:	2.82
IP(EA), eV:	-9.92(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyl-4-methoxy-2,3-dihydroindol-7-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C2(C1)OCC(CO2)(C)C)Br

DOS

IR

Vibrations