Geometry & MOs

Info

ID:	326604
PubChem CID:	126687868
Reduced:	F3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	195.173548
ΔH_f, kcal/mol:	-252.38
Dipole, Da:	5.74
IP(EA), eV:	-10.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-trimethyl-4,6,7,8,9,9a-hexahydro-3aH-cycloocta[d]triazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)CO

DOS

IR

Vibrations