Geometry & MOs

Info

ID:	76638
PubChem CID:	48425179
Reduced:	O2F3N4C15H23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	416.149382
ΔH_f, kcal/mol:	-209.25
Dipole, Da:	1.85
IP(EA), eV:	-9.13(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCN2C=CC=N2

DOS

IR

Vibrations