Geometry & MOs

Info

ID:	241642
PubChem CID:	96023903
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	15.11
Dipole, Da:	1.58
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=C(C=C3)CCl)C=C1)C

DOS

IR

Vibrations