Geometry & MOs

Info

ID:	241694
PubChem CID:	96024032
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	3.61
IP(EA), eV:	-8.92(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3CCN(CC3)C(=O)C)C=C1)C

DOS

IR

Vibrations