Geometry & MOs

Info

ID:	248304
PubChem CID:	103080430
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	2.59
Dipole, Da:	4.56
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(dimethylamino)methyl]-1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CC(C2)CO)[N+](=O)[O-]

DOS

IR

Vibrations