Geometry & MOs

Info

ID:	248226
PubChem CID:	103079811
Reduced:	FO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	1.82
Dipole, Da:	5.96
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations