Geometry & MOs

Info

ID:	241104
PubChem CID:	96021174
Reduced:	N2O2F3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	263.1674
ΔH_f, kcal/mol:	-251.33
Dipole, Da:	2.07
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCCN(C1)C[C@@](C)(C2=CC=CC=C2C(F)(F)F)O

DOS

IR

Vibrations