Geometry & MOs

Info

ID:	266995
PubChem CID:	103580343
Reduced:	BrClON2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	303.9978
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	1.88
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations