Geometry & MOs

Info

ID:	248217
PubChem CID:	103079766
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	4.33
Dipole, Da:	6.3
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CCCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations