Geometry & MOs

Info

ID:	34532
PubChem CID:	7978633
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-132.19
Dipole, Da:	5.62
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-methylphenoxy)propanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NCC2=CC=CC=C2OC)Cl

DOS

IR

Vibrations