Geometry & MOs

Info

ID:	21500
PubChem CID:	588676
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	234.115698
ΔH_f, kcal/mol:	77.32
Dipole, Da:	3.3
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,3,4-tetrahydroisoquinolin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

C1CNC(C2=CC=CC=C21)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations