Geometry & MOs

Info

ID:	248298
PubChem CID:	103080368
Reduced:	F2O2N5C7H11 (1)
Stoich.:	A2B2C5D7E11 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	7.7
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC(CN)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations