Geometry & MOs

Info

ID:	360329
PubChem CID:	127300972
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	5.89
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations