Geometry & MOs

Info

ID:	38937
PubChem CID:	8138198
Reduced:	F2N3O4H13C14 (1)
Stoich.:	A2B3C4D13E14 (1)
Weight, g/mol:	321.088019
ΔH_f, kcal/mol:	-192.45
Dipole, Da:	2.92
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC=CN2)OC(F)F

DOS

IR

Vibrations