Geometry & MOs

Info

ID:	375888
PubChem CID:	134221882
Reduced:	ClON2F4H25C27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-201.01
Dipole, Da:	6.84
IP(EA), eV:	-9.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclohexanecarbonyl)-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)C)F)C)C(F)(F)F)C(=O)NCC3=CN=C(C=C3)Cl

DOS

IR

Vibrations