Geometry & MOs

Info

ID:	23926
PubChem CID:	607133
Reduced:	BrN2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	394.01643
ΔH_f, kcal/mol:	-150.24
Dipole, Da:	5.07
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC=C

DOS

IR

Vibrations