Geometry & MOs

Info

ID:	248288
PubChem CID:	103080317
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	254.149124
ΔH_f, kcal/mol:	15.29
Dipole, Da:	6.91
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations