Geometry & MOs

Info

ID:	27517
PubChem CID:	821772
Reduced:	ON2Cl3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	346.040646
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	3.64
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H](C(Cl)(Cl)Cl)NC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations