Geometry & MOs

Info

ID:	89736
PubChem CID:	49964180
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	271.23
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	1.63
IP(EA), eV:	-8.88(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-3-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCCCCC1C2=CC=CC=C2CC(N1)CC=C

DOS

IR

Vibrations