Geometry & MOs

Info

ID:	242019
PubChem CID:	96025102
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	0.82
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations