Geometry & MOs

Info

ID:	264696
PubChem CID:	103483583
Reduced:	BrFON3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	2.29
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CNCC2=C1C(=O)N(C=N2)CC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations