Geometry & MOs

Info

ID:	436752
PubChem CID:	135210466
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	315.256215
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	3.14
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4-tetrahydroisoquinolin-1-yl)dodecan-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(CCOCC3)C(=CC2=O)C(O)OC

DOS

IR

Vibrations