Geometry & MOs

Info

ID:	180161
PubChem CID:	76586465
Reduced:	F2O3N4C28H32 (1)
Stoich.:	A2B3C4D28E32 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-139.76
Dipole, Da:	6.72
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,3,6,7-tetramethylcyclohept-4-en-1-one

Drug info:

PubChemData

Smile

CC(CN1CCN(C(C1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)OC)C(=O)N(C)C)(C4=NC=C(C=C4)F)O

DOS

IR

Vibrations