Geometry & MOs

Info

ID:	231618
PubChem CID:	87574315
Reduced:	ClO2N10C28H37 (1)
Stoich.:	AB2C10D28E37 (1)
Weight, g/mol:	256.092243
ΔH_f, kcal/mol:	13.7
Dipole, Da:	17.84
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pent-2-enoic acid

Drug info:

PubChemData

Smile

CN(C)[C@H]1CCN(C1)C(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=CC(=NC=C6)Cl

DOS

IR

Vibrations