Geometry & MOs

Info

ID:	76620
PubChem CID:	48425157
Reduced:	O2F3N5C19H26 (1)
Stoich.:	A2B3C5D19E26 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-192.94
Dipole, Da:	4.42
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylcyclopropyl)furan-2-yl]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations