Geometry & MOs

Info

ID:	310334
PubChem CID:	126578970
Reduced:	NH35C51 (1)
Stoich.:	AB35C51 (1)
Weight, g/mol:	711.2926
ΔH_f, kcal/mol:	213.47
Dipole, Da:	1.79
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylnaphthalen-2-yl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC4=CC=CC=C43)C5=CC=CC(=C5)C6=CC=CC(=C6)C7=CC=CC(=C7)C8=CC=CC(=C8)C9=CC=CC=C9

DOS

IR

Vibrations