Geometry & MOs

Info

ID:	271851
PubChem CID:	103694333
Reduced:	BrINC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	43.25
Dipole, Da:	2.0
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CNCC1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations