Geometry & MOs

Info

ID:	415016
PubChem CID:	135087996
Reduced:	ON2F3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-202.56
Dipole, Da:	4.93
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(F)(F)F)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations