Geometry & MOs

Info

ID:	368273
PubChem CID:	127327847
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	5.24
IP(EA), eV:	-9.3(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations