Geometry & MOs

Info

ID:	435759
PubChem CID:	135192355
Reduced:	ClO2F3N10C33H36 (1)
Stoich.:	AB2C3D10E33F36 (1)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	3.71
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=NN(C=C3NC1=O)C4CCNCC4)N5C=NC(=CC5=O)C6=C(C=CC(=C6)Cl)N(/C=C(/C(F)(F)F)\N)N

DOS

IR

Vibrations