Geometry & MOs

Info

ID:	248285
PubChem CID:	103080267
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	21.57
Dipole, Da:	5.96
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-aminocyclohexyl)oxyethyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCCN(C1CCCNC1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations