Geometry & MOs

Info

ID:	34545
PubChem CID:	7978648
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	418.202321
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	3.42
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations