Geometry & MOs

Info

ID:	330342
PubChem CID:	127247329
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	5.17
IP(EA), eV:	-9.6(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=CC(=NO3)OC

DOS

IR

Vibrations