Geometry & MOs

Info

ID:	219673
PubChem CID:	85164422
Reduced:	PN3O5C30H36 (1)
Stoich.:	AB3C5D30E36 (1)
Weight, g/mol:	550.164059
ΔH_f, kcal/mol:	-166.97
Dipole, Da:	2.65
IP(EA), eV:	-8.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-benzyl-N-[2-[N-(1-carboxypent-4-ynyl)-C-phenylcarbonimidoyl]phenyl]pyrrolidine-2-carboximidate;nickel

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C)[N+](=CC1=CC2=CC=CC=C2C3=C1OC4(C=N3)C(C5=CC=CC=C5N4C)(C)C)[O-])OCC

DOS

IR

Vibrations