Geometry & MOs

Info

ID:	3115
PubChem CID:	9172
Reduced:	NH11C17 (1)
Stoich.:	AB11C17 (1)
Weight, g/mol:	229.089149
ΔH_f, kcal/mol:	79.85
Dipole, Da:	2.98
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphtho[2,1-f]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CN=C4

DOS

IR

Vibrations