Geometry & MOs

Info

ID:	76595
PubChem CID:	48425128
Reduced:	O2F3N5C14H22 (1)
Stoich.:	A2B3C5D14E22 (1)
Weight, g/mol:	394.117413
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	6.65
IP(EA), eV:	-9.03(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations