Geometry & MOs

Info

ID:	388895
PubChem CID:	134990540
Reduced:	ClFON2H16C19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-22.95
Dipole, Da:	2.74
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-4,4-diethoxy-3-methylbut-2-enyl]-1,3,3-trimethylcyclohexene

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C=C(C=C3)Cl)C(=C2C(=O)N)C4=CC=CC=C4F

DOS

IR

Vibrations