Geometry & MOs

Info

ID:	267567
PubChem CID:	103582727
Reduced:	BrClN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	33.88
Dipole, Da:	2.73
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5-bromo-3-chloropyridin-2-yl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

C1CN(CCN1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations