Geometry & MOs

Info

ID:	241797
PubChem CID:	96024298
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	77.6
Dipole, Da:	9.55
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CN3C=NN=N3

DOS

IR

Vibrations