Geometry & MOs

Info

ID:	54630
PubChem CID:	17389012
Reduced:	N3O6H11C16 (1)
Stoich.:	A3B6C11D16 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-106.84
Dipole, Da:	8.4
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)[N+](=O)[O-]

DOS

IR

Vibrations