Geometry & MOs

Info

ID:	166403
PubChem CID:	74683813
Reduced:	O2F3N4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	359.175953
ΔH_f, kcal/mol:	-174.63
Dipole, Da:	2.94
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=C(C=C4)C

DOS

IR

Vibrations