Geometry & MOs

Info

ID:	374117
PubChem CID:	131323890
Reduced:	ClOBr2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	251.007324
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	3.17
IP(EA), eV:	-9.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CCl)CC(=O)CBr

DOS

IR

Vibrations