Geometry & MOs

Info

ID:	57307
PubChem CID:	22395636
Reduced:	NF3O4H6C9 (1)
Stoich.:	AB3C4D6E9 (1)
Weight, g/mol:	364.04365
ΔH_f, kcal/mol:	-207.44
Dipole, Da:	4.59
IP(EA), eV:	-10.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[3-(iodomethyl)pyridin-2-yl]ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C([N+](=O)[O-])OC(=O)C(F)(F)F

DOS

IR

Vibrations