Geometry & MOs

Info

ID:	248199
PubChem CID:	103079634
Reduced:	ClON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	214.10659
ΔH_f, kcal/mol:	32.06
Dipole, Da:	6.39
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations