Geometry & MOs

Info

ID:	38938
PubChem CID:	8138200
Reduced:	ClN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	1.83
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-oxo-4-(4-pentylphenyl)butanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)NNC(=O)C2=CC=CN2)C)Cl

DOS

IR

Vibrations