Geometry & MOs

Info

ID:	65453
PubChem CID:	38671681
Reduced:	BrN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	357.053667
ΔH_f, kcal/mol:	-131.13
Dipole, Da:	3.2
IP(EA), eV:	-8.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2,4-dioxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(N3)C=CC(=C4)Br)OC1

DOS

IR

Vibrations