Geometry & MOs

Info

ID:	146426
PubChem CID:	53687544
Reduced:	N2O9C25H36 (1)
Stoich.:	A2B9C25D36 (1)
Weight, g/mol:	224.131349
ΔH_f, kcal/mol:	-331.39
Dipole, Da:	6.5
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(C1C2=C(C(=C(C=C2)OC)OC)OC)C(=O)OC)C)COCCOCCN

DOS

IR

Vibrations