Geometry & MOs

Info

ID:	186743
PubChem CID:	77476784
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	346.211965
ΔH_f, kcal/mol:	0.2
Dipole, Da:	7.14
IP(EA), eV:	-8.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-8,12,12,14-tetramethyl-3-(trifluoromethyl)-2,13-dioxatricyclo[7.4.1.05,14]tetradec-3-ene

Drug info:

PubChemData

Smile

CCN(C1CC2=NC(=C3C(C(=NN3)C)CCC(C)(C)C)C=C2C=C1)C(=O)C

DOS

IR

Vibrations