Geometry & MOs

Info

ID:	178749
PubChem CID:	76375839
Reduced:	PN2O7C25H32 (1)
Stoich.:	AB2C7D25E32 (1)
Weight, g/mol:	384.050684
ΔH_f, kcal/mol:	-299.89
Dipole, Da:	4.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752853
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-oxo-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC[N+]1(C(=O)CP(=O)(C(C)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations