Geometry & MOs

Info

ID:	429391
PubChem CID:	135169414
Reduced:	F3O4N5C27H34 (1)
Stoich.:	A3B4C5D27E34 (1)
Weight, g/mol:	358.240899
ΔH_f, kcal/mol:	-279.36
Dipole, Da:	7.66
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-(5-tert-butyl-1,3-dihydroisoindol-2-yl)quinoline

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)C(=O)[C@@H]2[C@@H](C(=O)N2C(N[C@@H](C3CCCCC3)C(F)(F)F)O)CC4=CC(=NC=C4)N

DOS

IR

Vibrations