Geometry & MOs

Info

ID:	128331
PubChem CID:	51039958
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	344.117235
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	7.51
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,8-dimethoxy-7-methylnaphthalen-2-yl)methyl]-5-fluoropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=C1OC)CN3C=CC(=O)NC3=O)OC

DOS

IR

Vibrations