Geometry & MOs

Info

ID:	34534
PubChem CID:	7978635
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-134.24
Dipole, Da:	5.23
IP(EA), eV:	-8.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations