Geometry & MOs

Info

ID:	140074
PubChem CID:	52642498
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	250.086604
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	6.1
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(4-fluoro-2-nitrophenyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

CCC(CC)N(CCOC)C(=O)CSC1=NC(=CC(=N1)C)C

DOS

IR

Vibrations