Geometry & MOs

Info

ID:	272100
PubChem CID:	103723899
Reduced:	SN3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	22.68
Dipole, Da:	7.89
IP(EA), eV:	-8.14(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2,6-difluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=S)NCC1=CN(C=C1)C

DOS

IR

Vibrations