Geometry & MOs

Info

ID:	166454
PubChem CID:	74690194
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	353.101171
ΔH_f, kcal/mol:	-51.64
Dipole, Da:	4.19
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-ethoxynaphthalen-1-yl)ethenyl]-5-nitro-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=CN3C2=NC4C3C(=O)N(C(=O)N4C)C(C)C(=O)C)C)C

DOS

IR

Vibrations