Geometry & MOs

Info

ID:	242018
PubChem CID:	96025101
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations