Geometry & MOs

Info

ID:	311175
PubChem CID:	126589733
Reduced:	ClO2N3C33H40 (1)
Stoich.:	AB2C3D33E40 (1)
Weight, g/mol:	471.186815
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	6.85
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[4-(5,5-dimethylcyclopenten-1-yl)-5-(1H-indol-4-yl)thiophen-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4C)C)CC(=O)O)N5CCCC(C5)(C)C

DOS

IR

Vibrations