Geometry & MOs

Info

ID:	34564
PubChem CID:	7978674
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	5.69
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations