Geometry & MOs

Info

ID:	426651
PubChem CID:	135153137
Reduced:	F3N3H16C20 (1)
Stoich.:	A3B3C16D20 (1)
Weight, g/mol:	371.124547
ΔH_f, kcal/mol:	-72.16
Dipole, Da:	3.8
IP(EA), eV:	-9.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3,3-dimethyl-6-(trifluoromethoxy)-4H-isoquinolin-1-yl]quinoxaline

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC(=C2)C(F)(F)F)C(=N1)C3=NC4=CC=CC=C4C=N3)C

DOS

IR

Vibrations