Geometry & MOs

Info

ID:	38851
PubChem CID:	8138049
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	3.41
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)N)N

DOS

IR

Vibrations