Geometry & MOs

Info

ID:	404483
PubChem CID:	135066489
Reduced:	SN2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	376.118082
ΔH_f, kcal/mol:	93.48
Dipole, Da:	3.04
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylsulfonylpyridin-2-yl)-N-pentan-3-yl-5-(trifluoromethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations