Geometry & MOs

Info

ID:	158952
PubChem CID:	57244288
Reduced:	ClN3O3C28H40 (1)
Stoich.:	AB3C3D28E40 (1)
Weight, g/mol:	208.071114
ΔH_f, kcal/mol:	-184.61
Dipole, Da:	4.04
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropyl] formate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations