Geometry & MOs

Info

ID:	435783
PubChem CID:	135192391
Reduced:	ClO2F3N8H28C32 (1)
Stoich.:	AB2C3D8E28F32 (1)
Weight, g/mol:	181.065827
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	11.27
IP(EA), eV:	-8.79(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,7-dimethyl-7,7a-dihydroindole

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC=CC(=C2)C3=C(C=C(C=N3)C#N)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(/C(F)(F)F)\N)N

DOS

IR

Vibrations