Geometry & MOs

Info

ID:	439323
PubChem CID:	135229094
Reduced:	BrION2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	50.39
Dipole, Da:	2.62
IP(EA), eV:	-9.48(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-3-phenylmethoxypyridin-1-yl)propanal

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1N=CC(=C2)Br)OCI

DOS

IR

Vibrations