Geometry & MOs

Info

ID:	62142
PubChem CID:	26717729
Reduced:	BrN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	495.20055
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	3.21
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]oxyacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)NNC(=O)C4=CC=C(O4)COC5=CC=CC=C5

DOS

IR

Vibrations