Geometry & MOs

Info

ID:	267489
PubChem CID:	103582370
Reduced:	BrClSN2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	50.5
Dipole, Da:	2.3
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations