Geometry & MOs

Info

ID:	250677
PubChem CID:	103098268
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-107.7
Dipole, Da:	7.55
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C3=C(N2)C=CC=C3F)CCC(=O)O

DOS

IR

Vibrations