Geometry & MOs

Info

ID:	38876
PubChem CID:	8138094
Reduced:	FN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	-121.65
Dipole, Da:	5.13
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-benzoylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations