Geometry & MOs

Info

ID:	227743
PubChem CID:	87562369
Reduced:	BrSiO2N4C29H29 (1)
Stoich.:	ABC2D4E29F29 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	24.93
Dipole, Da:	4.36
IP(EA), eV:	-8.65(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

C[Si](C)(C)CCOCN1C2=C(C=CC(=C2)/C=C\3/C4=C(C=CC(=C4)Br)NC3=O)C(=N1)/C=C/C5=CC=NC=C5

DOS

IR

Vibrations