Geometry & MOs

Info

ID:	248158
PubChem CID:	103079330
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	226.070205
ΔH_f, kcal/mol:	-71.61
Dipole, Da:	6.77
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4-nitropyrazol-3-yl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations