Geometry & MOs

Info

ID:	245401
PubChem CID:	99444385
Reduced:	N2F3O4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	478.165032
ΔH_f, kcal/mol:	-271.97
Dipole, Da:	4.43
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations