Geometry & MOs

Info

ID:	248219
PubChem CID:	103079773
Reduced:	O3N4C10H18 (1)
Stoich.:	A3B4C10D18 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	5.3
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCCCOCCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations