Geometry & MOs

Info

ID:	179628
PubChem CID:	76513664
Reduced:	BrNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	467.05796
ΔH_f, kcal/mol:	-133.44
Dipole, Da:	1.68
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(7-bromo-1H-indol-3-yl)methyl]-2-(4-methoxycarbonyloxybut-2-enyl)propanedioate

Drug info:

PubChemData

Smile

COC(=O)C1(CC(C2(C1)CNC3=C2C=C(C=C3)Br)C=C)C(=O)OC

DOS

IR

Vibrations