Geometry & MOs

Info

ID:	396736
PubChem CID:	135029113
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	3.86
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC3=CC=CC=C3C2C(=C)C=O

DOS

IR

Vibrations