Geometry & MOs

Info

ID:	266994
PubChem CID:	103580341
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	306.01345
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	2.16
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations