Geometry & MOs

Info

ID:	324209
PubChem CID:	126677145
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-177.74
Dipole, Da:	3.23
IP(EA), eV:	-9.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(hydroxymethyl)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCCOCC1=CC2=C(CN(CC2(F)F)C=O)C=C1

DOS

IR

Vibrations