Geometry & MOs

Info

ID:	228250
PubChem CID:	87563745
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	468.13848
ΔH_f, kcal/mol:	-68.98
Dipole, Da:	2.39
IP(EA), eV:	-9.23(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(trifluoromethyl)phenyl]-[3-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CCC2=CC=CC=C21)(C=O)O

DOS

IR

Vibrations