Geometry & MOs

Info

ID:	164922
PubChem CID:	74473703
Reduced:	N2O3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	361.127385
ΔH_f, kcal/mol:	6.03
Dipole, Da:	9.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.916902
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-ethoxy-4-propan-2-yloxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=C(C3C=CC=CC3=NC2=O)[O-]

DOS

IR

Vibrations