Geometry & MOs

Info

ID:	248283
PubChem CID:	103080254
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	20.92
Dipole, Da:	8.2
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCCC2C3CCCN3)[N+](=O)[O-]

DOS

IR

Vibrations