Geometry & MOs

Info

ID:	34559
PubChem CID:	7978664
Reduced:	Cl2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	8.44
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl)Cl

DOS

IR

Vibrations