Geometry & MOs

Info

ID:	248293
PubChem CID:	103080343
Reduced:	O2N5C9H17 (1)
Stoich.:	A2B5C9D17 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	20.22
Dipole, Da:	7.12
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC)CNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations