Geometry & MOs

Info

ID:	234568
PubChem CID:	92298709
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	360.08524
ΔH_f, kcal/mol:	42.7
Dipole, Da:	1.67
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-chloro-4-methylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N)[C@H](C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations