Geometry & MOs

Info

ID:	377167
PubChem CID:	134223205
Reduced:	F2O3N9C26H33 (1)
Stoich.:	A2B3C9D26E33 (1)
Weight, g/mol:	274.240899
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	3.55
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hexylnonylidene)propanedinitrile

Drug info:

PubChemData

Smile

CC1(CC(CC2N1CCC2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4F)O[C@@H]5CCOC5)N6C(=O)N(N=N6)C)C

DOS

IR

Vibrations