Geometry & MOs

Info

ID:	138364
PubChem CID:	52355331
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	359.193495
ΔH_f, kcal/mol:	14.17
Dipole, Da:	7.56
IP(EA), eV:	-8.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C[C@@H]3CCCO3

DOS

IR

Vibrations