Geometry & MOs

Info

ID:	140895
PubChem CID:	52779587
Reduced:	ClN2O2F3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-245.57
Dipole, Da:	5.32
IP(EA), eV:	-9.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](COCC(F)(F)F)NC(=O)N(C)CC1=CC(=CC=C1)Cl

DOS

IR

Vibrations