Geometry & MOs

Info

ID:	354252
PubChem CID:	127286216
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	8.05
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NCCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations