Geometry & MOs

Info

ID:	34601
PubChem CID:	7978715
Reduced:	ClN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	-186.03
Dipole, Da:	5.65
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)Cl

DOS

IR

Vibrations