Geometry & MOs

Info

ID:	360278
PubChem CID:	127300921
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	9.67
IP(EA), eV:	-9.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=C(C=C3)CNC(=O)C4CCCC4

DOS

IR

Vibrations