Geometry & MOs

Info

ID:	24783
PubChem CID:	613405
Reduced:	NO2F3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	365.160263
ΔH_f, kcal/mol:	-210.01
Dipole, Da:	4.82
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diethoxy-1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(F)(F)F)OCC

DOS

IR

Vibrations