Geometry & MOs

Info

ID:	368262
PubChem CID:	127327836
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	3.83
IP(EA), eV:	-8.64(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations