Geometry & MOs

Info

ID:	45958
PubChem CID:	10519667
Reduced:	NSO2H13C19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	1.72
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)CN3C4=CC=CC=C4SC3=O

DOS

IR

Vibrations