Geometry & MOs

Info

ID:	227601
PubChem CID:	87562069
Reduced:	ON6H18C24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	378.142701
ΔH_f, kcal/mol:	153.36
Dipole, Da:	5.92
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(furan-2-yl)-4-hydroxyimino-3-methyl-2-oxobutanoate;N-[1-(furan-2-yl)propylidene]hydroxylamine

Drug info:

PubChemData

Smile

CNC1=C(C(=NC2=NC(=NN12)C3=CC=CC=N3)C4=CC=C(C=C4)C=O)C5=CC=CC=C5

DOS

IR

Vibrations