Geometry & MOs

Info

ID:	137325
PubChem CID:	52190939
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	5.89
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations