Geometry & MOs

Info

ID:	326238
PubChem CID:	126687216
Reduced:	FN2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	515.21727
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	3.32
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-N-[(2S)-5-(6-ethenyl-3-fluoro-2,3-dihydropyridin-5-yl)pentan-2-yl]-6-ethyl-2-iodo-2-methylnonane-3,4-diimine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)F)/C(=C\N)/C

DOS

IR

Vibrations