Geometry & MOs

Info

ID:	34568
PubChem CID:	7978678
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	4.02
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-butoxybenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)N2CCCC3=CC=CC=C32)Cl

DOS

IR

Vibrations