Geometry & MOs

Info

ID:	348793
PubChem CID:	127274441
Reduced:	SO4N5C13H21 (1)
Stoich.:	AB4C5D13E21 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	4.55
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C=C(C=N1)NC(=O)CCN2CCCS2(=O)=O

DOS

IR

Vibrations