Geometry & MOs

Info

ID:	248167
PubChem CID:	103079364
Reduced:	N4O5C10H14 (1)
Stoich.:	A4B5C10D14 (1)
Weight, g/mol:	266.065119
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	4.7
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(COCC1NC2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations