Geometry & MOs

Info

ID:	205504
PubChem CID:	80114535
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	217.088498
ΔH_f, kcal/mol:	-171.09
Dipole, Da:	1.4
IP(EA), eV:	-10.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-methylsulfonylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)CC(=O)NCCCO

DOS

IR

Vibrations