Geometry & MOs

Info

ID:	375930
PubChem CID:	134221926
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	1.38
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1H-indol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)OC)OCC=C

DOS

IR

Vibrations