Geometry & MOs

Info

ID:	241865
PubChem CID:	96024419
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	6.69
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(C(=O)NC(=O)N3)F)C=C1)C

DOS

IR

Vibrations