Geometry & MOs

Info

ID:	35385
PubChem CID:	7979792
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	3.16
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N'-[3-(3-methylphenoxy)propanoyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations