Geometry & MOs

Info

ID:	34439
PubChem CID:	7978468
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	320.09094
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	4.55
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N'-[2-(4-cyanophenoxy)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C)Cl

DOS

IR

Vibrations