Geometry & MOs

Info

ID:	242093
PubChem CID:	96025820
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	5.97
Dipole, Da:	1.81
IP(EA), eV:	-8.64(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3CCC3

DOS

IR

Vibrations