Geometry & MOs

Info

ID:	242519
PubChem CID:	97301792
Reduced:	FNCl2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	5.8
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S)-2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=C1C=C(C=C2)F)C(=O)O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations