Geometry & MOs

Info

ID:	405034
PubChem CID:	135072248
Reduced:	ClNF3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	1.9
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-butyl-5-(6-ethenyl-6-methylcyclohexen-1-yl)-4-(2-methylpent-4-en-2-yl)-1,3-dioxolan-2-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=CC=C2N=C(C(F)(F)F)Cl

DOS

IR

Vibrations