Geometry & MOs

Info

ID:	48506
PubChem CID:	10852011
Reduced:	BF2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	177.139174
ΔH_f, kcal/mol:	-226.13
Dipole, Da:	4.59
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-(1-ethylpyridin-1-ium-2-yl)-N,N-dimethylethenamine

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C=C1)C2=CC=C(C=C2)CCCCC)F)F)(O)O

DOS

IR

Vibrations