Geometry & MOs

Info

ID:	266998
PubChem CID:	103580349
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	305.95931
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	2.25
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(thiolan-2-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN(CCOCC1CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations