Geometry & MOs

Info

ID:	398697
PubChem CID:	135034889
Reduced:	BrN3H14C22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	388.053404
ΔH_f, kcal/mol:	129.44
Dipole, Da:	3.98
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)C4=CNC5=C4C=C(C=N5)Br

DOS

IR

Vibrations