Geometry & MOs

Info

ID:	33804
PubChem CID:	7888201
Reduced:	ClFN2O4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	4.37
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations