Geometry & MOs

Info

ID:	248223
PubChem CID:	103079798
Reduced:	O3N5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-15.27
Dipole, Da:	8.73
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(6-methylheptan-2-yl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations