Geometry & MOs

Info

ID:	309128
PubChem CID:	126538022
Reduced:	F3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	317.191028
ΔH_f, kcal/mol:	-333.47
Dipole, Da:	2.88
IP(EA), eV:	-10.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-hexyl-7,8,9,10,11,11a-hexahydro-6aH-cyclohepta[c]isoquinoline

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC1CC2CC1CC2(C(F)(F)F)OC(=O)C

DOS

IR

Vibrations