Geometry & MOs

Info

ID:	266926
PubChem CID:	103580095
Reduced:	BrClN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	299.97774
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	5.12
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC2=C(C=C(C=N2)Br)Cl)OC

DOS

IR

Vibrations