Geometry & MOs

Info

ID:	39047
PubChem CID:	8138424
Reduced:	NSO7C20H25 (1)
Stoich.:	ABC7D20E25 (1)
Weight, g/mol:	293.056719
ΔH_f, kcal/mol:	-245.51
Dipole, Da:	8.53
IP(EA), eV:	-9.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-chlorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3CC3

DOS

IR

Vibrations