Geometry & MOs

Info

ID:	266993
PubChem CID:	103580337
Reduced:	BrClN2O2C10H12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	2.57
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1C2=C(C=C(C=N2)Br)Cl)CO

DOS

IR

Vibrations