Geometry & MOs

Info

ID:	413614
PubChem CID:	135086563
Reduced:	BN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	355.00448
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	2.84
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-iodohex-1-enyl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

B(C1=CN(C2=C1C=CC=N2)CC3=CC=CC=C3)(O)O

DOS

IR

Vibrations