Geometry & MOs

Info

ID:	368802
PubChem CID:	127330187
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	3.5
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations