Geometry & MOs

Info

ID:	426625
PubChem CID:	135153033
Reduced:	F3N3H16C20 (1)
Stoich.:	A3B3C16D20 (1)
Weight, g/mol:	307.114319
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	2.96
IP(EA), eV:	-9.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)thieno[2,3-b]pyrazine

Drug info:

PubChemData

Smile

CCC1(C(C2=CC=CC=C2C(=N1)C3=NN=C4C(=C3)C=CC=C4F)(F)F)C

DOS

IR

Vibrations