Geometry & MOs

Info

ID:	205474
PubChem CID:	80109400
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	3.26
IP(EA), eV:	-9.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-2-(2,4,6-trimethylphenyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)NC2COC2

DOS

IR

Vibrations