Geometry & MOs

Info

ID:	297490
PubChem CID:	117618884
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	384.164934
ΔH_f, kcal/mol:	9.8
Dipole, Da:	6.11
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R)-3-(7-fluoro-1H-indazol-6-yl)-1-(3-fluoro-2-methylphenyl)-3-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations