Geometry & MOs

Info

ID:	38885
PubChem CID:	8138106
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	269.002575
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	3.7
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chlorothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations