Geometry & MOs

Info

ID:	366037
PubChem CID:	127319343
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	4.78
IP(EA), eV:	-8.67(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CSCC2C(=O)N(C)C

DOS

IR

Vibrations