Geometry & MOs

Info

ID:	266927
PubChem CID:	103580106
Reduced:	BrClN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	72.34
Dipole, Da:	1.5
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations