Geometry & MOs

Info

ID:	267002
PubChem CID:	103580405
Reduced:	BrClN2O2C10H14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	4.43
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)NCCCOCCO)Br

DOS

IR

Vibrations