Geometry & MOs

Info

ID:	252391
PubChem CID:	103111048
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	276.074621
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	2.47
IP(EA), eV:	-9.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methyl-3-nitrophenyl)methylamino]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC(=CC=C2)Br)CN

DOS

IR

Vibrations