Geometry & MOs

Info

ID:	266912
PubChem CID:	103580029
Reduced:	BrClSO2N3C9H13 (1)
Stoich.:	ABCD2E3F9G13 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	6.59
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations