Geometry & MOs

Info

ID:	65259
PubChem CID:	29204679
Reduced:	Cl2N4O5C19H20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	413.090912
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	7.62
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations