Geometry & MOs

Info

ID:	248303
PubChem CID:	103080427
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	-6.64
Dipole, Da:	6.56
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1(CN(C1)C2=NN(C=C2[N+](=O)[O-])C)O

DOS

IR

Vibrations