Geometry & MOs

Info

ID:	261568
PubChem CID:	103240734
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	5.44
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC1CCC(CC1)CNCC2=C(C=C(C=C2)C(=O)O)Br

DOS

IR

Vibrations