Geometry & MOs

Info

ID:	124446
PubChem CID:	50883964
Reduced:	ClN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	39.21
Dipole, Da:	5.98
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=NNC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations