Geometry & MOs

Info

ID:	218077
PubChem CID:	85088825
Reduced:	NCl2O2F3C20H20 (1)
Stoich.:	AB2C2D3E20F20 (1)
Weight, g/mol:	425.116064
ΔH_f, kcal/mol:	-256.29
Dipole, Da:	5.86
IP(EA), eV:	-9.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C3C(N2)CC(CC3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations