Geometry & MOs

Info

ID:	248218
PubChem CID:	103079769
Reduced:	O2N5C11H19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	16.38
Dipole, Da:	7.44
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butoxyethyl)-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations