Geometry & MOs

Info

ID:	376145
PubChem CID:	134222148
Reduced:	NCl2O2F3H20C27 (1)
Stoich.:	AB2C2D3E20F27 (1)
Weight, g/mol:	407.187227
ΔH_f, kcal/mol:	-187.59
Dipole, Da:	5.97
IP(EA), eV:	-9.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yloxy-5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)C)Cl)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations