Geometry & MOs

Info

ID:	426641
PubChem CID:	135153080
Reduced:	ClO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	341.113982
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	8.19
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4,6-trifluoro-3,3-dimethylisoquinolin-1-yl)cinnoline

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(C=C3)Cl

DOS

IR

Vibrations