Geometry & MOs

Info

ID:	171711
PubChem CID:	75415786
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	280.097168
ΔH_f, kcal/mol:	77.85
Dipole, Da:	6.59
IP(EA), eV:	-8.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)SC(=N2)N(CC3=CC=CC=C3OC)C4CC4

DOS

IR

Vibrations