Geometry & MOs

Info

ID:	241149
PubChem CID:	96021527
Reduced:	NF2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	4.76
IP(EA), eV:	-9.23(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(1S)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations