Geometry & MOs

Info

ID:	439046
PubChem CID:	135228809
Reduced:	OSN3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	7.41
Dipole, Da:	4.05
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-7-methoxy-6,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CC(C1)NC2=NC=C(C=N2)SO

DOS

IR

Vibrations