Geometry & MOs

Info

ID:	395790
PubChem CID:	135026544
Reduced:	NOSiC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	562.328332
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	3.96
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,9bS)-N,N'-dibenzyl-4-heptyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboximidamide

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=C(C=C1)C#N)\O[Si](C)(C)C

DOS

IR

Vibrations