Geometry & MOs

Info

ID:	84792
PubChem CID:	49869925
Reduced:	Cl2O2N5C26H31 (1)
Stoich.:	A2B2C5D26E31 (1)
Weight, g/mol:	482.12019
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	9.2
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-4-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1C2=CC=CC=C2)C)C(=O)NCC(CN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)O

DOS

IR

Vibrations