Geometry & MOs

Info

ID:	76537
PubChem CID:	48425054
Reduced:	BrSN2O2F3C14H18 (1)
Stoich.:	ABC2D2E3F14G18 (1)
Weight, g/mol:	416.239911
ΔH_f, kcal/mol:	-215.58
Dipole, Da:	3.0
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations