Geometry & MOs

Info

ID:	201998
PubChem CID:	79615798
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	274.03169
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	5.23
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(1-methoxyethyl)-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCC(CC2)CC(=O)O)Br

DOS

IR

Vibrations