Geometry & MOs

Info

ID:	287626
PubChem CID:	104249165
Reduced:	BrN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	360.03347
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	10.22
IP(EA), eV:	-9.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COCC1=C(C(=O)N=C(N1)CC2CCCCO2)Br

DOS

IR

Vibrations