Geometry & MOs

Info

ID:	173152
PubChem CID:	75604180
Reduced:	N2O2F3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	344.171162
ΔH_f, kcal/mol:	-225.26
Dipole, Da:	2.26
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5,5,6,9-pentamethyl-9-(trifluoromethyl)-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-diene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2CC(N3N2C(C1(C)C)C(=C3)C(=O)OCC)(C)C(F)(F)F

DOS

IR

Vibrations