Geometry & MOs

Info

ID:	76558
PubChem CID:	48425079
Reduced:	O2F3N3C20H26 (1)
Stoich.:	A2B3C3D20E26 (1)
Weight, g/mol:	355.171891
ΔH_f, kcal/mol:	-214.18
Dipole, Da:	4.92
IP(EA), eV:	-8.43(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations