Geometry & MOs

Info

ID:	426644
PubChem CID:	135153103
Reduced:	OF2N2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	349.134575
ΔH_f, kcal/mol:	-60.85
Dipole, Da:	4.84
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3,3,4,4-tetramethylisoquinolin-1-yl)cinnoline

Drug info:

PubChemData

Smile

CC1(C(C2=CC=CC=C2C(=N1)C3=NC4=CC=CC=C4C(=C3)OC)(F)F)C

DOS

IR

Vibrations