Geometry & MOs

Info

ID:	270314
PubChem CID:	103636022
Reduced:	BrION2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	257.012267
ΔH_f, kcal/mol:	18.44
Dipole, Da:	4.29
IP(EA), eV:	-9.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(1-cyanopropyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations