Geometry & MOs

Info

ID:	262090
PubChem CID:	103269603
Reduced:	BrN2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	9.76
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-ethyl-2-methyl-4-nitropyrazol-3-yl)amino]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])Br)NCC(COC)OC

DOS

IR

Vibrations