Geometry & MOs

Info

ID:	266976
PubChem CID:	103580283
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	4.0
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CCO)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations