Geometry & MOs

Info

ID:	302720
PubChem CID:	124393461
Reduced:	BrN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	406.174001
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	9.64
IP(EA), eV:	-8.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-[3-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations