Geometry & MOs

Info

ID:	241864
PubChem CID:	96024418
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	34.67
Dipole, Da:	7.44
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C[C@@H](CN1C=C(C=N1)[N+](=O)[O-])O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations