Geometry & MOs

Info

ID:	426649
PubChem CID:	135153135
Reduced:	FN3H16C21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	299.142248
ΔH_f, kcal/mol:	107.88
Dipole, Da:	4.05
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-4-methylideneisoquinolin-1-yl)quinoxaline

Drug info:

PubChemData

Smile

C1CC12C3=CC=CC=C3C(=NC24CC4)C5=NN=C6C(=C5)C=CC=C6F

DOS

IR

Vibrations