Geometry & MOs

Info

ID:	34627
PubChem CID:	7978750
Reduced:	ClO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	3.76
IP(EA), eV:	-9.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

DOS

IR

Vibrations