Geometry & MOs

Info

ID:	207236
PubChem CID:	80364072
Reduced:	ClN3C15H26 (1)
Stoich.:	AB3C15D26 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.11
IP(EA), eV:	-8.77(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-4-nitro-5-propan-2-ylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NN(C(=C1Cl)N)C2CCCCCC2

DOS

IR

Vibrations