Geometry & MOs

Info

ID:	241134
PubChem CID:	96021451
Reduced:	SN5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	297.155121
ΔH_f, kcal/mol:	82.93
Dipole, Da:	10.21
IP(EA), eV:	-8.51(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-methyl-1-(1-thiophen-2-ylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)CSC3=NN=NN3C

DOS

IR

Vibrations