Geometry & MOs

Info

ID:	241693
PubChem CID:	96024030
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	6.75
IP(EA), eV:	-9.17(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H](C(=O)O)O

DOS

IR

Vibrations