Geometry & MOs

Info

ID:	264698
PubChem CID:	103483726
Reduced:	BrFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	4.8
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)OC2=CC(=C(C=C2N)Br)F

DOS

IR

Vibrations