Geometry & MOs

Info

ID:	34548
PubChem CID:	7978652
Reduced:	Cl2O3N4C18H18 (1)
Stoich.:	A2B3C4D18E18 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	4.6
IP(EA), eV:	-9.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations