Geometry & MOs

Info

ID:	85239
PubChem CID:	49872782
Reduced:	Br3Cl3N5H7C11 (1)
Stoich.:	A3B3C5D7E11 (1)
Weight, g/mol:	487.197043
ΔH_f, kcal/mol:	71.63
Dipole, Da:	2.34
IP(EA), eV:	-9.31(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C2=NN(C(=N)N=C2N)CC(Br)(Br)Br)Cl)Cl)Cl

DOS

IR

Vibrations