Geometry & MOs

Info

ID:	241771
PubChem CID:	96024211
Reduced:	ClNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	265.146664
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	2.32
IP(EA), eV:	-8.82(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations