Geometry & MOs

Info

ID:	248305
PubChem CID:	103080431
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	8.71
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CC(CC2CN(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations