Geometry & MOs

Info

ID:	172986
PubChem CID:	75579130
Reduced:	SN3F6C23H23 (1)
Stoich.:	AB3C6D23E23 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-273.54
Dipole, Da:	8.74
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-5-pyridin-2-ylpyrrolidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CC3=CC=CC=C3C2NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations