Geometry & MOs

Info

ID:	369920
PubChem CID:	127336766
Reduced:	SN2O4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	322.169271
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	5.76
IP(EA), eV:	-8.5(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NCC2COCCO2)C

DOS

IR

Vibrations