Geometry & MOs

Info

ID:	34592
PubChem CID:	7978704
Reduced:	ClN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	5.8
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-methoxyphenoxy)butanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations