Geometry & MOs

Info

ID:	83937
PubChem CID:	49862655
Reduced:	N3O5H11C13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	336.96982
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	2.31
IP(EA), eV:	-8.78(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-bromophenyl)methylideneamino]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations