Geometry & MOs

Info

ID:	368804
PubChem CID:	127330189
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	1.83
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-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)C3CCOC4=CC=CC=C34

DOS

IR

Vibrations