Geometry & MOs

Info

ID:	54839
PubChem CID:	17389384
Reduced:	NO2H6C7F7 (1)
Stoich.:	AB2C6D7E7 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-428.6
Dipole, Da:	4.16
IP(EA), eV:	-10.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;1-phenyl-N-pyridin-4-ylpyrrolidin-2-imine

Drug info:

PubChemData

Smile

COC(=O)/C=C(\C(C(C(F)(F)F)(F)F)(F)F)/N

DOS

IR

Vibrations