Geometry & MOs

Info

ID:	248281
PubChem CID:	103080230
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	296.159689
ΔH_f, kcal/mol:	51.08
Dipole, Da:	6.99
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-1-(1-methyl-4-nitropyrazol-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=C(C=C2)CCN)[N+](=O)[O-]

DOS

IR

Vibrations