Geometry & MOs

Info

ID:	89735
PubChem CID:	49964166
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	2.93
IP(EA), eV:	-9.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-3-prop-2-enyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C2=CSC=C2)O

DOS

IR

Vibrations