Geometry & MOs

Info

ID:	39013
PubChem CID:	8138356
Reduced:	OSN3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	35.93
Dipole, Da:	3.59
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43

DOS

IR

Vibrations