Geometry & MOs

Info

ID:	315449
PubChem CID:	126626753
Reduced:	ClFN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	392.123544
ΔH_f, kcal/mol:	2.23
Dipole, Da:	7.33
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC3=C2CCC3C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations