Geometry & MOs

Info

ID:	34590
PubChem CID:	7978702
Reduced:	FCl2N3O3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-146.1
Dipole, Da:	6.49
IP(EA), eV:	-8.97(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations