Geometry & MOs

Info

ID:	35429
PubChem CID:	7979848
Reduced:	ClN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	5.76
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations